N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide

C23H25N3O — CID 109169536

IUPACN-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-18(2)26(17-20-11-7-4-8-12-20)23(27)21-13-14-24-22(15-21)25-16-19-9-5-3-6-10-19/h3-15,18H,16-17H2,1-2H3,(H,24,25)
InChIKeyNZQLSSLFSUGZEI-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.74
Rot. Bonds7

About N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide

N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 109169536) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID109169536
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-18(2)26(17-20-11-7-4-8-12-20)23(27)21-13-14-24-22(15-21)25-16-19-9-5-3-6-10-19/h3-15,18H,16-17H2,1-2H3,(H,24,25)
InChIKeyNZQLSSLFSUGZEI-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109170485
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
CID 109170226
N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109155319
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide (CID 109169536) is N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is NZQLSSLFSUGZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18(2)26(17-20-11-7-4-8-12-20)23(27)21-13-14-24-22(15-21)25-16-19-9-5-3-6-10-19/h3-15,18H,16-17H2,1-2H3,(H,24,25).
What are the key properties of N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide?
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 109169536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).