6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide

C29H21N3O2 — CID 170421562

IUPAC6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C29H21N3O2/c33-28(32-26-16-14-20-6-4-5-7-23(20)18-26)22-12-10-21(11-13-22)27-17-15-24(19-30-27)29(34)31-25-8-2-1-3-9-25/h1-19H,(H,31,34)(H,32,33)
InChIKeyGGYVXVZUBIGEEA-UHFFFAOYSA-N
MW443.51 g/mol
LogP6.41
Rot. Bonds5

About 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide

6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide (PubChem CID 170421562) has the molecular formula C29H21N3O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
PubChem CID170421562
Molecular FormulaC29H21N3O2
Molecular Weight443.51 g/mol
Exact Mass443.16
IUPAC Name6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C29H21N3O2/c33-28(32-26-16-14-20-6-4-5-7-23(20)18-26)22-12-10-21(11-13-22)27-17-15-24(19-30-27)29(34)31-25-8-2-1-3-9-25/h1-19H,(H,31,34)(H,32,33)
InChIKeyGGYVXVZUBIGEEA-UHFFFAOYSA-N
XLogP6.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135

Frequently Asked Questions

What is the IUPAC name of 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide (CID 170421562) is 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide is O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cn2)cc1.
What is the InChIKey of 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is GGYVXVZUBIGEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2/c33-28(32-26-16-14-20-6-4-5-7-23(20)18-26)22-12-10-21(11-13-22)27-17-15-24(19-30-27)29(34)31-25-8-2-1-3-9-25/h1-19H,(H,31,34)(H,32,33).
What are the key properties of 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide?
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 170421562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).