N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide

C18H13N5O — CID 119050608

IUPACN-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)ccn1
InChIInChI=1S/C18H13N5O/c19-11-16-10-13(8-9-20-16)18(24)23-15-6-7-17(21-12-15)22-14-4-2-1-3-5-14/h1-10,12H,(H,21,22)(H,23,24)
InChIKeyGNLAJHJWXRXDDH-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.34
Rot. Bonds4

About N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide

N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide (PubChem CID 119050608) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide
PubChem CID119050608
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC NameN-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)ccn1
InChIInChI=1S/C18H13N5O/c19-11-16-10-13(8-9-20-16)18(24)23-15-6-7-17(21-12-15)22-14-4-2-1-3-5-14/h1-10,12H,(H,21,22)(H,23,24)
InChIKeyGNLAJHJWXRXDDH-UHFFFAOYSA-N
XLogP3.34
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
N-(6-anilino-3-pyridinyl)naphthalene-1-carboxamide
CID 110178232
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 115115799
N-[6-(2-cyanoanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113022682
N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
CID 112527987
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157

Frequently Asked Questions

What is the IUPAC name of N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide?
The IUPAC name of N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide (CID 119050608) is N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide.
What is the SMILES notation for N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide?
The canonical SMILES for N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide is N#Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)ccn1.
What is the InChIKey of N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide?
The InChIKey is GNLAJHJWXRXDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-11-16-10-13(8-9-20-16)18(24)23-15-6-7-17(21-12-15)22-14-4-2-1-3-5-14/h1-10,12H,(H,21,22)(H,23,24).
What are the key properties of N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide?
N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide is sourced from PubChem (CID 119050608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).