2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide

C24H25N3O2 — CID 109080088

IUPAC2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-3-18(2)26-23(28)20-14-15-25-22(16-20)24(29)27(21-12-8-5-9-13-21)17-19-10-6-4-7-11-19/h4-16,18H,3,17H2,1-2H3,(H,26,28)
InChIKeyRNTCCUYOYSAJSU-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.46
Rot. Bonds7

About 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide

2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109080088) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109080088
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-3-18(2)26-23(28)20-14-15-25-22(16-20)24(29)27(21-12-8-5-9-13-21)17-19-10-6-4-7-11-19/h4-16,18H,3,17H2,1-2H3,(H,26,28)
InChIKeyRNTCCUYOYSAJSU-UHFFFAOYSA-N
XLogP4.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109079334
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide
CID 109273461
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109080015
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
N-benzyl-N-phenyl-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081326
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide (CID 109080088) is 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is RNTCCUYOYSAJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-18(2)26-23(28)20-14-15-25-22(16-20)24(29)27(21-12-8-5-9-13-21)17-19-10-6-4-7-11-19/h4-16,18H,3,17H2,1-2H3,(H,26,28).
What are the key properties of 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).