N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide

C23H20N4O — CID 11326111

IUPACN-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
SMILESN#CC1(c2ccc(NC(=O)c3ccccc3NCc3ccncc3)cc2)CC1
InChIInChI=1S/C23H20N4O/c24-16-23(11-12-23)18-5-7-19(8-6-18)27-22(28)20-3-1-2-4-21(20)26-15-17-9-13-25-14-10-17/h1-10,13-14,26H,11-12,15H2,(H,27,28)
InChIKeyPKZBEWVAFRJOJW-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.50
Rot. Bonds6

About N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide

N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 11326111) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID11326111
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
SMILESN#CC1(c2ccc(NC(=O)c3ccccc3NCc3ccncc3)cc2)CC1
InChIInChI=1S/C23H20N4O/c24-16-23(11-12-23)18-5-7-19(8-6-18)27-22(28)20-3-1-2-4-21(20)26-15-17-9-13-25-14-10-17/h1-10,13-14,26H,11-12,15H2,(H,27,28)
InChIKeyPKZBEWVAFRJOJW-UHFFFAOYSA-N
XLogP4.50
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11268688
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide nitrate
CID 45138817
N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 71748820
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;naphthalene-2-sulfonic acid
CID 45137170
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
N-[4-(1-cyanocyclopentyl)phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide;hydrochloride
CID 71313460
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
N-(2-methylindazol-6-yl)-2-(pyridin-4-ylmethylamino)benzamide
CID 141140513
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
N-[4-(1-cyanocyclopentyl)phenyl]benzamide
CID 766970
N-(2-cyanophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191731

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide (CID 11326111) is N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide is N#CC1(c2ccc(NC(=O)c3ccccc3NCc3ccncc3)cc2)CC1.
What is the InChIKey of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is PKZBEWVAFRJOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c24-16-23(11-12-23)18-5-7-19(8-6-18)27-22(28)20-3-1-2-4-21(20)26-15-17-9-13-25-14-10-17/h1-10,13-14,26H,11-12,15H2,(H,27,28).
What are the key properties of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 11326111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).