2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

C19H30N4O — CID 84576935

IUPAC2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cccnc2N2CCCCCC2)CC1
InChIInChI=1S/C19H30N4O/c1-21-14-9-16(10-15-21)22(2)19(24)17-8-7-11-20-18(17)23-12-5-3-4-6-13-23/h7-8,11,16H,3-6,9-10,12-15H2,1-2H3
InChIKeyHPMMQRUWDUXKSH-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.63
Rot. Bonds3

About 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 84576935) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID84576935
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cccnc2N2CCCCCC2)CC1
InChIInChI=1S/C19H30N4O/c1-21-14-9-16(10-15-21)22(2)19(24)17-8-7-11-20-18(17)23-12-5-3-4-6-13-23/h7-8,11,16H,3-6,9-10,12-15H2,1-2H3
InChIKeyHPMMQRUWDUXKSH-UHFFFAOYSA-N
XLogP2.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
N-methyl-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62165835
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 53303052
N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475007
3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119362402
N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 84576816
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (CID 84576935) is 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is CN1CCC(N(C)C(=O)c2cccnc2N2CCCCCC2)CC1.
What is the InChIKey of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is HPMMQRUWDUXKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-14-9-16(10-15-21)22(2)19(24)17-8-7-11-20-18(17)23-12-5-3-4-6-13-23/h7-8,11,16H,3-6,9-10,12-15H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 84576935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).