N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C22H23N3O — CID 42796391

IUPACN-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cccnc1)C(=O)c1cccnc1
InChIInChI=1S/C22H23N3O/c1-18(11-12-19-7-3-2-4-8-19)25(17-20-9-5-13-23-15-20)22(26)21-10-6-14-24-16-21/h2-10,13-16,18H,11-12,17H2,1H3
InChIKeyBYIGULBTQCHXSR-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.14
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 42796391) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID42796391
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cccnc1)C(=O)c1cccnc1
InChIInChI=1S/C22H23N3O/c1-18(11-12-19-7-3-2-4-8-19)25(17-20-9-5-13-23-15-20)22(26)21-10-6-14-24-16-21/h2-10,13-16,18H,11-12,17H2,1H3
InChIKeyBYIGULBTQCHXSR-UHFFFAOYSA-N
XLogP4.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)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-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
CID 42796393
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42796396
2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 174613467
N-(1H-imidazol-2-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42786814
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
CID 42796388

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 42796391) is N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CC(CCc1ccccc1)N(Cc1cccnc1)C(=O)c1cccnc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BYIGULBTQCHXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-18(11-12-19-7-3-2-4-8-19)25(17-20-9-5-13-23-15-20)22(26)21-10-6-14-24-16-21/h2-10,13-16,18H,11-12,17H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42796391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).