5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide

C20H16N4O — CID 109188122

IUPAC5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H16N4O/c21-12-15-6-8-17(9-7-15)24-20(25)19-11-10-18(14-23-19)22-13-16-4-2-1-3-5-16/h1-11,14,22H,13H2,(H,24,25)
InChIKeyIYGSBFHKEWLLGN-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.82
Rot. Bonds5

About 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide

5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109188122) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
PubChem CID109188122
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H16N4O/c21-12-15-6-8-17(9-7-15)24-20(25)19-11-10-18(14-23-19)22-13-16-4-2-1-3-5-16/h1-11,14,22H,13H2,(H,24,25)
InChIKeyIYGSBFHKEWLLGN-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
N-(2-cyanophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191731
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641090
N-(4-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200694
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide (CID 109188122) is 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1.
What is the InChIKey of 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is IYGSBFHKEWLLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-12-15-6-8-17(9-7-15)24-20(25)19-11-10-18(14-23-19)22-13-16-4-2-1-3-5-16/h1-11,14,22H,13H2,(H,24,25).
What are the key properties of 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109188122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).