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

C18H16N4O — CID 102199988

IUPACN-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1cccnc1)Cc1ccccn1
InChIInChI=1S/C18H16N4O/c23-18(17-8-2-4-11-21-17)22(13-15-6-5-9-19-12-15)14-16-7-1-3-10-20-16/h1-12H,13-14H2
InChIKeyDEOKTQXAASZUPE-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.71
Rot. Bonds5

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

N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 102199988) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID102199988
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1cccnc1)Cc1ccccn1
InChIInChI=1S/C18H16N4O/c23-18(17-8-2-4-11-21-17)22(13-15-6-5-9-19-12-15)14-16-7-1-3-10-20-16/h1-12H,13-14H2
InChIKeyDEOKTQXAASZUPE-UHFFFAOYSA-N
XLogP2.71
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 56750676
3-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 17370577
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 42796243
1-pyridin-3-yl-N,N-bis(pyridin-2-ylmethyl)ethenamine
CID 118234431
N-benzyl-2-methyl-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 171678671
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 102199988) is N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(c1ccccn1)N(Cc1cccnc1)Cc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is DEOKTQXAASZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(17-8-2-4-11-21-17)22(13-15-6-5-9-19-12-15)14-16-7-1-3-10-20-16/h1-12H,13-14H2.
What are the key properties of N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 102199988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).