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

C12H11N3O — CID 889116

IUPACN-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccccn1
InChIInChI=1S/C12H11N3O/c16-12(11-5-1-2-7-14-11)15-9-10-4-3-6-13-8-10/h1-8H,9H2,(H,15,16)
InChIKeyPVQLDDRIQCSBFX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.41
Rot. Bonds3

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

N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 889116) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID889116
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccccn1
InChIInChI=1S/C12H11N3O/c16-12(11-5-1-2-7-14-11)15-9-10-4-3-6-13-8-10/h1-8H,9H2,(H,15,16)
InChIKeyPVQLDDRIQCSBFX-UHFFFAOYSA-N
XLogP1.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 889116) is N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1ccccn1.
What is the InChIKey of N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is PVQLDDRIQCSBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12(11-5-1-2-7-14-11)15-9-10-4-3-6-13-8-10/h1-8H,9H2,(H,15,16).
What are the key properties of N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 213.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 889116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).