N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C22H19N5O — CID 11268688

IUPACN-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESN#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC1
InChIInChI=1S/C22H19N5O/c23-15-22(9-10-22)17-3-5-18(6-4-17)27-21(28)19-2-1-11-25-20(19)26-14-16-7-12-24-13-8-16/h1-8,11-13H,9-10,14H2,(H,25,26)(H,27,28)
InChIKeyDVLAXWXFTVOCJZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.90
Rot. Bonds6

About N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 11268688) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID11268688
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESN#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC1
InChIInChI=1S/C22H19N5O/c23-15-22(9-10-22)17-3-5-18(6-4-17)27-21(28)19-2-1-11-25-20(19)26-14-16-7-12-24-13-8-16/h1-8,11-13H,9-10,14H2,(H,25,26)(H,27,28)
InChIKeyDVLAXWXFTVOCJZ-UHFFFAOYSA-N
XLogP3.90
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide 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-(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-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 11326111
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;naphthalene-2-sulfonic acid
CID 45137170
N-[4-(1-cyanocyclopentyl)phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide;hydrochloride
CID 71313460
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 11268688) is N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC1.
What is the InChIKey of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is DVLAXWXFTVOCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-15-22(9-10-22)17-3-5-18(6-4-17)27-21(28)19-2-1-11-25-20(19)26-14-16-7-12-24-13-8-16/h1-8,11-13H,9-10,14H2,(H,25,26)(H,27,28).
What are the key properties of N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11268688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).