N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide

C20H16N4O — CID 109209757

IUPACN-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C20H16N4O/c21-13-16-7-4-8-17(11-16)24-18-9-10-22-19(12-18)20(25)23-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,22,24)(H,23,25)
InChIKeyXLODAGKAIFXAPL-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.63
Rot. Bonds5

About N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide

N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109209757) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
PubChem CID109209757
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C20H16N4O/c21-13-16-7-4-8-17(11-16)24-18-9-10-22-19(12-18)20(25)23-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,22,24)(H,23,25)
InChIKeyXLODAGKAIFXAPL-UHFFFAOYSA-N
XLogP3.63
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209439
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109212408
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213375
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211244

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide (CID 109209757) is N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide is N#Cc1cccc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is XLODAGKAIFXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-13-16-7-4-8-17(11-16)24-18-9-10-22-19(12-18)20(25)23-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide?
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109209757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).