N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide

C23H32N4O2 — CID 110301839

IUPACN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccnc2N(C)C)N2CCCCCC2)cc1
InChIInChI=1S/C23H32N4O2/c1-26(2)22-20(9-8-14-24-22)23(28)25-17-21(27-15-6-4-5-7-16-27)18-10-12-19(29-3)13-11-18/h8-14,21H,4-7,15-17H2,1-3H3,(H,25,28)
InChIKeyGWQHOHRVUQTAFI-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.50
Rot. Bonds7

About N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 110301839) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID110301839
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccnc2N(C)C)N2CCCCCC2)cc1
InChIInChI=1S/C23H32N4O2/c1-26(2)22-20(9-8-14-24-22)23(28)25-17-21(27-15-6-4-5-7-16-27)18-10-12-19(29-3)13-11-18/h8-14,21H,4-7,15-17H2,1-3H3,(H,25,28)
InChIKeyGWQHOHRVUQTAFI-UHFFFAOYSA-N
XLogP3.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide 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

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
CID 30695715
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 40844596
5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604161
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide (CID 110301839) is N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide is COc1ccc(C(CNC(=O)c2cccnc2N(C)C)N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is GWQHOHRVUQTAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-26(2)22-20(9-8-14-24-22)23(28)25-17-21(27-15-6-4-5-7-16-27)18-10-12-19(29-3)13-11-18/h8-14,21H,4-7,15-17H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 110301839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).