N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide

C29H21N3O2 — CID 170422622

IUPACN-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)c3cccc4ccccc34)cn2)cc1)c1ccccc1
InChIInChI=1S/C29H21N3O2/c33-28(22-8-2-1-3-9-22)31-23-15-13-21(14-16-23)27-18-17-24(19-30-27)32-29(34)26-12-6-10-20-7-4-5-11-25(20)26/h1-19H,(H,31,33)(H,32,34)
InChIKeyXYVQTGAZBZCTCH-UHFFFAOYSA-N
MW443.51 g/mol
LogP6.41
Rot. Bonds5

About N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide

N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide (PubChem CID 170422622) has the molecular formula C29H21N3O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
PubChem CID170422622
Molecular FormulaC29H21N3O2
Molecular Weight443.51 g/mol
Exact Mass443.16
IUPAC NameN-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)c3cccc4ccccc34)cn2)cc1)c1ccccc1
InChIInChI=1S/C29H21N3O2/c33-28(22-8-2-1-3-9-22)31-23-15-13-21(14-16-23)27-18-17-24(19-30-27)32-29(34)26-12-6-10-20-7-4-5-11-25(20)26/h1-19H,(H,31,33)(H,32,34)
InChIKeyXYVQTGAZBZCTCH-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

6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
N-(6-anilino-3-pyridinyl)naphthalene-1-carboxamide
CID 110178232
1-N,3-N,5-N-tris(4-benzo[f]quinolin-3-ylphenyl)benzene-1,3,5-tricarboxamide
CID 126638754
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
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
2-[1-[4-(naphthalene-1-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
CID 72736517
4-(5-acetyl-2-pyridinyl)-N-naphthalen-1-ylbenzamide
CID 170421596

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide?
The IUPAC name of N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide (CID 170422622) is N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide is O=C(Nc1ccc(-c2ccc(NC(=O)c3cccc4ccccc34)cn2)cc1)c1ccccc1.
What is the InChIKey of N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide?
The InChIKey is XYVQTGAZBZCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2/c33-28(22-8-2-1-3-9-22)31-23-15-13-21(14-16-23)27-18-17-24(19-30-27)32-29(34)26-12-6-10-20-7-4-5-11-25(20)26/h1-19H,(H,31,33)(H,32,34).
What are the key properties of N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide?
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-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 N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide is sourced from PubChem (CID 170422622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).