N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide

C23H25N3O — CID 113015015

IUPACN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C23H25N3O/c1-18(2)26(17-20-11-7-4-8-12-20)22-14-13-21(16-24-22)25-23(27)15-19-9-5-3-6-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,25,27)
InChIKeyJQSAOFLHDXUXQR-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.68
Rot. Bonds7

About N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide

N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide (PubChem CID 113015015) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
PubChem CID113015015
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C23H25N3O/c1-18(2)26(17-20-11-7-4-8-12-20)22-14-13-21(16-24-22)25-23(27)15-19-9-5-3-6-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,25,27)
InChIKeyJQSAOFLHDXUXQR-UHFFFAOYSA-N
XLogP4.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113015034
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011981
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
2-amino-N-[6-[benzyl(ethyl)amino]-3-pyridinyl]acetamide
CID 39181885
2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
CID 113016501

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide (CID 113015015) is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide is CC(C)N(Cc1ccccc1)c1ccc(NC(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is JQSAOFLHDXUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18(2)26(17-20-11-7-4-8-12-20)22-14-13-21(16-24-22)25-23(27)15-19-9-5-3-6-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,25,27).
What are the key properties of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide?
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 359.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 113015015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).