6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide

C29H21N3O2 — CID 170421908

IUPAC6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)nc1
InChIInChI=1S/C29H21N3O2/c33-28(31-23-9-2-1-3-10-23)22-15-18-27(30-19-22)21-13-16-24(17-14-21)32-29(34)26-12-6-8-20-7-4-5-11-25(20)26/h1-19H,(H,31,33)(H,32,34)
InChIKeyPLSQIDSKAOJLKP-UHFFFAOYSA-N
MW443.51 g/mol
LogP6.41
Rot. Bonds5

About 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide

6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide (PubChem CID 170421908) has the molecular formula C29H21N3O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
PubChem CID170421908
Molecular FormulaC29H21N3O2
Molecular Weight443.51 g/mol
Exact Mass443.16
IUPAC Name6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)nc1
InChIInChI=1S/C29H21N3O2/c33-28(31-23-9-2-1-3-10-23)22-15-18-27(30-19-22)21-13-16-24(17-14-21)32-29(34)26-12-6-8-20-7-4-5-11-25(20)26/h1-19H,(H,31,33)(H,32,34)
InChIKeyPLSQIDSKAOJLKP-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-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
2-[1-[4-(naphthalene-1-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
CID 72736517
N-(6-anilino-3-pyridinyl)naphthalene-1-carboxamide
CID 110178232
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
CID 7532319
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
4-(5-acetyl-2-pyridinyl)-N-naphthalen-1-ylbenzamide
CID 170421596
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389

Frequently Asked Questions

What is the IUPAC name of 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide (CID 170421908) is 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)nc1.
What is the InChIKey of 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is PLSQIDSKAOJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2/c33-28(31-23-9-2-1-3-10-23)22-15-18-27(30-19-22)21-13-16-24(17-14-21)32-29(34)26-12-6-8-20-7-4-5-11-25(20)26/h1-19H,(H,31,33)(H,32,34).
What are the key properties of 6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide?
6-[4-(naphthalene-1-carbonylamino)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-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 170421908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).