6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide

C15H17N3O2 — CID 50968652

IUPAC6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H17N3O2/c1-2-9-18(11-12-5-4-8-16-10-12)15(20)13-6-3-7-14(19)17-13/h3-8,10H,2,9,11H2,1H3,(H,17,19)
InChIKeyWVYKECYBNSLHIW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.82
Rot. Bonds5

About 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide

6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide (PubChem CID 50968652) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide
PubChem CID50968652
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H17N3O2/c1-2-9-18(11-12-5-4-8-16-10-12)15(20)13-6-3-7-14(19)17-13/h3-8,10H,2,9,11H2,1H3,(H,17,19)
InChIKeyWVYKECYBNSLHIW-UHFFFAOYSA-N
XLogP1.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide (CID 50968652) is 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide is CCCN(Cc1cccnc1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide?
The InChIKey is WVYKECYBNSLHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-9-18(11-12-5-4-8-16-10-12)15(20)13-6-3-7-14(19)17-13/h3-8,10H,2,9,11H2,1H3,(H,17,19).
What are the key properties of 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide?
6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-N-(pyridin-3-ylmethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 50968652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).