2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one

C82H90F9N9O7 — CID 161367311

IUPAC2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one
SMILESCc1ccc(CC2CCCC2=O)nc1.Cc1ccc(CC2CCCC2N)nc1.Cc1ccc(CC2CCCC2N2C(=O)c3ccccc3C2=O)nc1.Cc1ccc(CC2CCCC2O)nc1.O=C1CCC/C1=C\c1ccc(C(F)(F)F)cn1.O=Cc1ccc(C(F)(F)F)cn1.OCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H20N2O2.C12H10F3NO.C12H18N2.C12H17NO.C12H15NO.C7H6F3NO.C7H4F3NO/c1-13-9-10-15(21-12-13)11-14-5-4-8-18(14)22-19(23)16-6-2-3-7-17(16)20(22)24;13-12(14,15)9-4-5-10(16-7-9)6-8-2-1-3-11(8)17;1-9-5-6-11(14-8-9)7-10-3-2-4-12(10)13;2*1-9-5-6-11(13-8-9)7-10-3-2-4-12(10)14;2*8-7(9,10)5-1-2-6(4-12)11-3-5/h2-3,6-7,9-10,12,14,18H,4-5,8,11H2,1H3;4-7H,1-3H2;5-6,8,10,12H,2-4,7,13H2,1H3;5-6,8,10,12,14H,2-4,7H2,1H3;5-6,8,10H,2-4,7H2,1H3;1-3,12H,4H2;1-4H/b;8-6+;;;;;
InChIKeyVPZFQDSOVQHNID-MBVWSRAISA-N
MW1484.66 g/mol
LogP16.59
Rot. Bonds12

About 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one

2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one (PubChem CID 161367311) has the molecular formula C82H90F9N9O7 and a molecular weight of 1484.66 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one
PubChem CID161367311
Molecular FormulaC82H90F9N9O7
Molecular Weight1484.66 g/mol
Exact Mass1483.68
IUPAC Name2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one
SMILESCc1ccc(CC2CCCC2=O)nc1.Cc1ccc(CC2CCCC2N)nc1.Cc1ccc(CC2CCCC2N2C(=O)c3ccccc3C2=O)nc1.Cc1ccc(CC2CCCC2O)nc1.O=C1CCC/C1=C\c1ccc(C(F)(F)F)cn1.O=Cc1ccc(C(F)(F)F)cn1.OCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H20N2O2.C12H10F3NO.C12H18N2.C12H17NO.C12H15NO.C7H6F3NO.C7H4F3NO/c1-13-9-10-15(21-12-13)11-14-5-4-8-18(14)22-19(23)16-6-2-3-7-17(16)20(22)24;13-12(14,15)9-4-5-10(16-7-9)6-8-2-1-3-11(8)17;1-9-5-6-11(14-8-9)7-10-3-2-4-12(10)13;2*1-9-5-6-11(13-8-9)7-10-3-2-4-12(10)14;2*8-7(9,10)5-1-2-6(4-12)11-3-5/h2-3,6-7,9-10,12,14,18H,4-5,8,11H2,1H3;4-7H,1-3H2;5-6,8,10,12H,2-4,7,13H2,1H3;5-6,8,10,12,14H,2-4,7H2,1H3;5-6,8,10H,2-4,7H2,1H3;1-3,12H,4H2;1-4H/b;8-6+;;;;;
InChIKeyVPZFQDSOVQHNID-MBVWSRAISA-N
XLogP16.59
TPSA245.30 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.66
LogP ≤ 516.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylpyridine-2-carbaldehyde;2-[(4-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[2-[(4-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;(2E)-2-[(4-methyl-2-pyridinyl)methylidene]cyclopentan-1-one;2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-ol;2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-one
CID 159257573
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 158620515

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one (CID 161367311) is 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one is Cc1ccc(CC2CCCC2=O)nc1.Cc1ccc(CC2CCCC2N)nc1.Cc1ccc(CC2CCCC2N2C(=O)c3ccccc3C2=O)nc1.Cc1ccc(CC2CCCC2O)nc1.O=C1CCC/C1=C\c1ccc(C(F)(F)F)cn1.O=Cc1ccc(C(F)(F)F)cn1.OCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one?
The InChIKey is VPZFQDSOVQHNID-MBVWSRAISA-N. The full InChI is InChI=1S/C20H20N2O2.C12H10F3NO.C12H18N2.C12H17NO.C12H15NO.C7H6F3NO.C7H4F3NO/c1-13-9-10-15(21-12-13)11-14-5-4-8-18(14)22-19(23)16-6-2-3-7-17(16)20(22)24;13-12(14,15)9-4-5-10(16-7-9)6-8-2-1-3-11(8)17;1-9-5-6-11(14-8-9)7-10-3-2-4-12(10)13;2*1-9-5-6-11(13-8-9)7-10-3-2-4-12(10)14;2*8-7(9,10)5-1-2-6(4-12)11-3-5/h2-3,6-7,9-10,12,14,18H,4-5,8,11H2,1H3;4-7H,1-3H2;5-6,8,10,12H,2-4,7,13H2,1H3;5-6,8,10,12,14H,2-4,7H2,1H3;5-6,8,10H,2-4,7H2,1H3;1-3,12H,4H2;1-4H/b;8-6+;;;;;.
What are the key properties of 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one?
2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one has a molecular weight of 1484.66 g/mol, XLogP of 16.59, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-ol;2-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-one;2-[2-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]isoindole-1,3-dione;5-(trifluoromethyl)pyridine-2-carbaldehyde;[5-(trifluoromethyl)-2-pyridinyl]methanol;(2E)-2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentan-1-one is sourced from PubChem (CID 161367311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).