N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide

C25H19N3O — CID 134144670

IUPACN-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccncc2)cc1)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H19N3O/c29-25(20-9-10-22-21-3-1-2-4-23(21)28-24(22)15-20)27-16-17-5-7-18(8-6-17)19-11-13-26-14-12-19/h1-15,28H,16H2,(H,27,29)
InChIKeyCFOSETDQZJUDSC-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.31
Rot. Bonds4

About N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide

N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide (PubChem CID 134144670) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide
PubChem CID134144670
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC NameN-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccncc2)cc1)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H19N3O/c29-25(20-9-10-22-21-3-1-2-4-23(21)28-24(22)15-20)27-16-17-5-7-18(8-6-17)19-11-13-26-14-12-19/h1-15,28H,16H2,(H,27,29)
InChIKeyCFOSETDQZJUDSC-UHFFFAOYSA-N
XLogP5.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-(9H-carbazol-2-yl)-2-pyridin-4-ylacetamide
CID 91025258
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
CID 16745860
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
CID 51450902
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
CID 142337828
N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51114332

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
The IUPAC name of N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide (CID 134144670) is N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide.
What is the SMILES notation for N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
The canonical SMILES for N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide is O=C(NCc1ccc(-c2ccncc2)cc1)c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
The InChIKey is CFOSETDQZJUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c29-25(20-9-10-22-21-3-1-2-4-23(21)28-24(22)15-20)27-16-17-5-7-18(8-6-17)19-11-13-26-14-12-19/h1-15,28H,16H2,(H,27,29).
What are the key properties of N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide is sourced from PubChem (CID 134144670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).