N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C19H15N5O — CID 109235482

IUPACN-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(NCc3cccnc3)c2)c1
InChIInChI=1S/C19H15N5O/c20-9-14-3-1-5-17(7-14)24-19(25)16-8-18(13-22-12-16)23-11-15-4-2-6-21-10-15/h1-8,10,12-13,23H,11H2,(H,24,25)
InChIKeyULXUXPAKQYCMBC-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.21
Rot. Bonds5

About N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235482) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235482
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(NCc3cccnc3)c2)c1
InChIInChI=1S/C19H15N5O/c20-9-14-3-1-5-17(7-14)24-19(25)16-8-18(13-22-12-16)23-11-15-4-2-6-21-10-15/h1-8,10,12-13,23H,11H2,(H,24,25)
InChIKeyULXUXPAKQYCMBC-UHFFFAOYSA-N
XLogP3.21
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060943
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235401
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
N-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235488
N-(2,4-difluorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235467
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235741
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109235482) is N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2cncc(NCc3cccnc3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is ULXUXPAKQYCMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-9-14-3-1-5-17(7-14)24-19(25)16-8-18(13-22-12-16)23-11-15-4-2-6-21-10-15/h1-8,10,12-13,23H,11H2,(H,24,25).
What are the key properties of N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).