N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride

C24H21ClF2N4O — CID 90241988

IUPACN-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.N#Cc1ccc(NC(=O)c2cncc(CN(Cc3ccc(F)c(F)c3)C3CC3)c2)cc1
InChIInChI=1S/C24H20F2N4O.ClH/c25-22-8-3-17(10-23(22)26)14-30(21-6-7-21)15-18-9-19(13-28-12-18)24(31)29-20-4-1-16(11-27)2-5-20;/h1-5,8-10,12-13,21H,6-7,14-15H2,(H,29,31);1H
InChIKeyMYWSIKCBUSEGTH-UHFFFAOYSA-N
MW454.91 g/mol
LogP5.07
Rot. Bonds7

About N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride

N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 90241988) has the molecular formula C24H21ClF2N4O and a molecular weight of 454.91 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID90241988
Molecular FormulaC24H21ClF2N4O
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.N#Cc1ccc(NC(=O)c2cncc(CN(Cc3ccc(F)c(F)c3)C3CC3)c2)cc1
InChIInChI=1S/C24H20F2N4O.ClH/c25-22-8-3-17(10-23(22)26)14-30(21-6-7-21)15-18-9-19(13-28-12-18)24(31)29-20-4-1-16(11-27)2-5-20;/h1-5,8-10,12-13,21H,6-7,14-15H2,(H,29,31);1H
InChIKeyMYWSIKCBUSEGTH-UHFFFAOYSA-N
XLogP5.07
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.91
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-3-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]benzamide
CID 90242500
3-[[(4-cyano-2-fluorophenyl)methyl-cyclopropylamino]methyl]-N-(4-cyanophenyl)benzamide
CID 90237647
N-(4-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226990
N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 90342817
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride (CID 90241988) is N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride is Cl.N#Cc1ccc(NC(=O)c2cncc(CN(Cc3ccc(F)c(F)c3)C3CC3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is MYWSIKCBUSEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O.ClH/c25-22-8-3-17(10-23(22)26)14-30(21-6-7-21)15-18-9-19(13-28-12-18)24(31)29-20-4-1-16(11-27)2-5-20;/h1-5,8-10,12-13,21H,6-7,14-15H2,(H,29,31);1H.
What are the key properties of N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride?
N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 454.91 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 90241988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).