N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

C22H20N4O2 — CID 129240415

IUPACN-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
SMILESN#Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1ccccc1
InChIInChI=1S/C22H20N4O2/c23-13-19-18(17-5-2-1-3-6-17)7-4-8-20(19)26-22(28)21-10-9-16(15-25-21)14-24-11-12-27/h1-10,15,24,27H,11-12,14H2,(H,26,28)
InChIKeyAVFXAMHRFSTYGE-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.95
Rot. Bonds7

About N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (PubChem CID 129240415) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
PubChem CID129240415
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
SMILESN#Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1ccccc1
InChIInChI=1S/C22H20N4O2/c23-13-19-18(17-5-2-1-3-6-17)7-4-8-20(19)26-22(28)21-10-9-16(15-25-21)14-24-11-12-27/h1-10,15,24,27H,11-12,14H2,(H,26,28)
InChIKeyAVFXAMHRFSTYGE-UHFFFAOYSA-N
XLogP2.95
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-(2,2'-Dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(5-(((2-hydroxyethyl)amino)methyl)picolinamide)
CID 139537190
WO2017106634, Example 33
CID 129240409
N-(3-cyanophenyl)pyridine-2-carboxamide
CID 2445811
N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 2599699
Pyridine-2-carboxylic Acid(4,4-Diphenyl-propyl)-amide
CID 9166073
Pyridine-2-carboxylic acid {3-[3-(2,6-diisopropyl-phenyl)-ureido]-2-phenyl-propyl}-amide
CID 10456868
3-[[1-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridine-2-carbonyl]piperidin-4-yl]amino]benzonitrile
CID 16041481
5-[(3-Cyanobenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571869
5-(3-(2-cyanopropan-2-yl)benzamido)-2-methyl-N-(6-methylpyridin-3-yl)benzamide
CID 44571963
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-cyano-3-pyridinyl)-2-methylbenzamide
CID 44572010
N-[3-[(4S)-2-amino-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 71466347
(S)-N-(2-(2-cyanopyrrolidine-1-yl)-2-oxoethyl)-5-phenylquinoline-4-carboxamide
CID 89704970

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (CID 129240415) is N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is N#Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1ccccc1.
What is the InChIKey of N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The InChIKey is AVFXAMHRFSTYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-13-19-18(17-5-2-1-3-6-17)7-4-8-20(19)26-22(28)21-10-9-16(15-25-21)14-24-11-12-27/h1-10,15,24,27H,11-12,14H2,(H,26,28).
What are the key properties of N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-phenylphenyl)-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129240415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).