2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide

C15H24N4O — CID 79115806

IUPAC2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N(C)C2CCC(N)CC2)n1
InChIInChI=1S/C15H24N4O/c1-9-8-10(2)18-15(13(9)14(17)20)19(3)12-6-4-11(16)5-7-12/h8,11-12H,4-7,16H2,1-3H3,(H2,17,20)
InChIKeyOBWKXWOAFNLEQY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.50
Rot. Bonds3

About 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide

2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 79115806) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide
PubChem CID79115806
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N(C)C2CCC(N)CC2)n1
InChIInChI=1S/C15H24N4O/c1-9-8-10(2)18-15(13(9)14(17)20)19(3)12-6-4-11(16)5-7-12/h8,11-12H,4-7,16H2,1-3H3,(H2,17,20)
InChIKeyOBWKXWOAFNLEQY-UHFFFAOYSA-N
XLogP1.50
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide (CID 79115806) is 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(N(C)C2CCC(N)CC2)n1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is OBWKXWOAFNLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9-8-10(2)18-15(13(9)14(17)20)19(3)12-6-4-11(16)5-7-12/h8,11-12H,4-7,16H2,1-3H3,(H2,17,20).
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide?
2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 79115806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).