N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide

C29H21N3O2 — CID 170421570

IUPACN-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cn2)cc1
InChIInChI=1S/C29H21N3O2/c33-28(31-25-8-2-1-3-9-25)22-13-11-21(12-14-22)27-17-16-26(19-30-27)32-29(34)24-15-10-20-6-4-5-7-23(20)18-24/h1-19H,(H,31,33)(H,32,34)
InChIKeyCYLHBBNJPAXZOO-UHFFFAOYSA-N
MW443.51 g/mol
LogP6.41
Rot. Bonds5

About N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide

N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide (PubChem CID 170421570) has the molecular formula C29H21N3O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
PubChem CID170421570
Molecular FormulaC29H21N3O2
Molecular Weight443.51 g/mol
Exact Mass443.16
IUPAC NameN-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cn2)cc1
InChIInChI=1S/C29H21N3O2/c33-28(31-25-8-2-1-3-9-25)22-13-11-21(12-14-22)27-17-16-26(19-30-27)32-29(34)24-15-10-20-6-4-5-7-23(20)18-24/h1-19H,(H,31,33)(H,32,34)
InChIKeyCYLHBBNJPAXZOO-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-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide (CID 170421570) is N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide is O=C(Nc1ccccc1)c1ccc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cn2)cc1.
What is the InChIKey of N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is CYLHBBNJPAXZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2/c33-28(31-25-8-2-1-3-9-25)22-13-11-21(12-14-22)27-17-16-26(19-30-27)32-29(34)24-15-10-20-6-4-5-7-23(20)18-24/h1-19H,(H,31,33)(H,32,34).
What are the key properties of N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide?
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-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-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 170421570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).