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

C75H84F6N8O6 — CID 159257573

IUPAC4-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
SMILESCc1ccnc(/C=C2\CCCC2=O)c1.Cc1ccnc(C=O)c1.Cc1ccnc(CC2CCCC2N)c1.Cc1ccnc(CC2CCCC2N2C(=O)c3ccccc3C2=O)c1.O=C1CCCC1Cc1cc(C(F)(F)F)ccn1.OC1CCCC1Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H20N2O2.C12H14F3NO.C12H12F3NO.C12H18N2.C12H13NO.C7H7NO/c1-13-9-10-21-15(11-13)12-14-5-4-8-18(14)22-19(23)16-6-2-3-7-17(16)20(22)24;2*13-12(14,15)9-4-5-16-10(7-9)6-8-2-1-3-11(8)17;1-9-5-6-14-11(7-9)8-10-3-2-4-12(10)13;1-9-5-6-13-11(7-9)8-10-3-2-4-12(10)14;1-6-2-3-8-7(4-6)5-9/h2-3,6-7,9-11,14,18H,4-5,8,12H2,1H3;4-5,7-8,11,17H,1-3,6H2;4-5,7-8H,1-3,6H2;5-7,10,12H,2-4,8,13H2,1H3;5-8H,2-4H2,1H3;2-5H,1H3/b;;;;10-8+;
InChIKeyKWCAVKKHAMXEEU-AARHHTGXSA-N
MW1307.53 g/mol
LogP15.00
Rot. Bonds11

About 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

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 (PubChem CID 159257573) has the molecular formula C75H84F6N8O6 and a molecular weight of 1307.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159257573
Molecular FormulaC75H84F6N8O6
Molecular Weight1307.53 g/mol
Exact Mass1306.64
IUPAC Name4-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
SMILESCc1ccnc(/C=C2\CCCC2=O)c1.Cc1ccnc(C=O)c1.Cc1ccnc(CC2CCCC2N)c1.Cc1ccnc(CC2CCCC2N2C(=O)c3ccccc3C2=O)c1.O=C1CCCC1Cc1cc(C(F)(F)F)ccn1.OC1CCCC1Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H20N2O2.C12H14F3NO.C12H12F3NO.C12H18N2.C12H13NO.C7H7NO/c1-13-9-10-21-15(11-13)12-14-5-4-8-18(14)22-19(23)16-6-2-3-7-17(16)20(22)24;2*13-12(14,15)9-4-5-16-10(7-9)6-8-2-1-3-11(8)17;1-9-5-6-14-11(7-9)8-10-3-2-4-12(10)13;1-9-5-6-13-11(7-9)8-10-3-2-4-12(10)14;1-6-2-3-8-7(4-6)5-9/h2-3,6-7,9-11,14,18H,4-5,8,12H2,1H3;4-5,7-8,11,17H,1-3,6H2;4-5,7-8H,1-3,6H2;5-7,10,12H,2-4,8,13H2,1H3;5-8H,2-4H2,1H3;2-5H,1H3/b;;;;10-8+;
InChIKeyKWCAVKKHAMXEEU-AARHHTGXSA-N
XLogP15.00
TPSA212.18 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.53
LogP ≤ 515.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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 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 with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccnc(/C=C2\CCCC2=O)c1.Cc1ccnc(C=O)c1.Cc1ccnc(CC2CCCC2N)c1.Cc1ccnc(CC2CCCC2N2C(=O)c3ccccc3C2=O)c1.O=C1CCCC1Cc1cc(C(F)(F)F)ccn1.OC1CCCC1Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 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?
The InChIKey is KWCAVKKHAMXEEU-AARHHTGXSA-N. The full InChI is InChI=1S/C20H20N2O2.C12H14F3NO.C12H12F3NO.C12H18N2.C12H13NO.C7H7NO/c1-13-9-10-21-15(11-13)12-14-5-4-8-18(14)22-19(23)16-6-2-3-7-17(16)20(22)24;2*13-12(14,15)9-4-5-16-10(7-9)6-8-2-1-3-11(8)17;1-9-5-6-14-11(7-9)8-10-3-2-4-12(10)13;1-9-5-6-13-11(7-9)8-10-3-2-4-12(10)14;1-6-2-3-8-7(4-6)5-9/h2-3,6-7,9-11,14,18H,4-5,8,12H2,1H3;4-5,7-8,11,17H,1-3,6H2;4-5,7-8H,1-3,6H2;5-7,10,12H,2-4,8,13H2,1H3;5-8H,2-4H2,1H3;2-5H,1H3/b;;;;10-8+;.
What are the key properties of 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?
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 has a molecular weight of 1307.53 g/mol, XLogP of 15.00, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159257573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).