N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C18H17N5O — CID 109191023

IUPACN-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H17N5O/c24-18(23-11-14-4-3-8-19-10-14)17-7-6-16(13-22-17)21-12-15-5-1-2-9-20-15/h1-10,13,21H,11-12H2,(H,23,24)
InChIKeyWWFLQEKZAKJZEG-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.41
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191023) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191023
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H17N5O/c24-18(23-11-14-4-3-8-19-10-14)17-7-6-16(13-22-17)21-12-15-5-1-2-9-20-15/h1-10,13,21H,11-12H2,(H,23,24)
InChIKeyWWFLQEKZAKJZEG-UHFFFAOYSA-N
XLogP2.41
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191291

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109191023) is N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is WWFLQEKZAKJZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(23-11-14-4-3-8-19-10-14)17-7-6-16(13-22-17)21-12-15-5-1-2-9-20-15/h1-10,13,21H,11-12H2,(H,23,24).
What are the key properties of N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).