N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide

C24H27N3O — CID 109158221

IUPACN-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C24H27N3O/c1-19(2)27(18-21-11-7-4-8-12-21)24(28)22-13-14-23(26-17-22)25-16-15-20-9-5-3-6-10-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,25,26)
InChIKeyBVRNLGPHYISDKK-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.79
Rot. Bonds8

About N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109158221) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109158221
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C24H27N3O/c1-19(2)27(18-21-11-7-4-8-12-21)24(28)22-13-14-23(26-17-22)25-16-15-20-9-5-3-6-10-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,25,26)
InChIKeyBVRNLGPHYISDKK-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109155319
N-benzyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109161151
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 109158221) is N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(NCCc2ccccc2)nc1.
What is the InChIKey of N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is BVRNLGPHYISDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-19(2)27(18-21-11-7-4-8-12-21)24(28)22-13-14-23(26-17-22)25-16-15-20-9-5-3-6-10-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109158221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).