(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone

C13H18N2O — CID 116605314

IUPAC(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ccc(N)cn2)CC1
InChIInChI=1S/C13H18N2O/c1-9-2-4-10(5-3-9)13(16)12-7-6-11(14)8-15-12/h6-10H,2-5,14H2,1H3
InChIKeyJINRVUBSDDCODU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.67
Rot. Bonds2

About (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone

(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone (PubChem CID 116605314) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone
PubChem CID116605314
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ccc(N)cn2)CC1
InChIInChI=1S/C13H18N2O/c1-9-2-4-10(5-3-9)13(16)12-7-6-11(14)8-15-12/h6-10H,2-5,14H2,1H3
InChIKeyJINRVUBSDDCODU-UHFFFAOYSA-N
XLogP2.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
cyclopropyl-(5-methylpyrazin-2-yl)methanone
CID 118508128
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
CID 64774798
5-amino-N-(3,5-dimethylcyclohexyl)pyridine-2-carboxamide
CID 81316470
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
CID 79723805
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
cycloheptyl-(5-fluoro-2-pyridinyl)methanone
CID 82931790

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone (CID 116605314) is (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)c2ccc(N)cn2)CC1.
What is the InChIKey of (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone?
The InChIKey is JINRVUBSDDCODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-2-4-10(5-3-9)13(16)12-7-6-11(14)8-15-12/h6-10H,2-5,14H2,1H3.
What are the key properties of (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone?
(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 116605314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).