N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide

C21H25N3O — CID 58278026

IUPACN-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccnc1
InChIInChI=1S/C21H25N3O/c25-21(19-3-2-10-22-15-19)23-14-16-6-7-17-8-11-24(20-4-1-5-20)12-9-18(17)13-16/h2-3,6-7,10,13,15,20H,1,4-5,8-9,11-12,14H2,(H,23,25)
InChIKeyCGJAPRVFQDDNFG-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.96
Rot. Bonds4

About N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide

N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide (PubChem CID 58278026) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide
PubChem CID58278026
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccnc1
InChIInChI=1S/C21H25N3O/c25-21(19-3-2-10-22-15-19)23-14-16-6-7-17-8-11-24(20-4-1-5-20)12-9-18(17)13-16/h2-3,6-7,10,13,15,20H,1,4-5,8-9,11-12,14H2,(H,23,25)
InChIKeyCGJAPRVFQDDNFG-UHFFFAOYSA-N
XLogP2.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]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-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 58277842
3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-6-[(3R)-3-methoxypyrrolidin-1-yl]pyridine-3-carboxamide
CID 53304164
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-5-(dimethylamino)pyrazine-2-carboxamide
CID 53302446
3-cyclobutyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161977
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-5-[(3S)-3-methoxypyrrolidin-1-yl]pyrazine-2-carboxamide
CID 53302552
3-cyclobutyl-N-[(1-methylimidazol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277851
N-[[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023317
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46834793
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-benzylpyridine-3-carboxamide chloride
CID 21204170

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide (CID 58278026) is N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccnc1.
What is the InChIKey of N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CGJAPRVFQDDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(19-3-2-10-22-15-19)23-14-16-6-7-17-8-11-24(20-4-1-5-20)12-9-18(17)13-16/h2-3,6-7,10,13,15,20H,1,4-5,8-9,11-12,14H2,(H,23,25).
What are the key properties of N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide?
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58278026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).