5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C15H16N4O — CID 81317198

IUPAC5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)N(Cc2ccccn2)C2CC2)nc1
InChIInChI=1S/C15H16N4O/c16-11-4-7-14(18-9-11)15(20)19(13-5-6-13)10-12-3-1-2-8-17-12/h1-4,7-9,13H,5-6,10,16H2
InChIKeyQLIRLGYIJOUCAC-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.86
Rot. Bonds4

About 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 81317198) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID81317198
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)N(Cc2ccccn2)C2CC2)nc1
InChIInChI=1S/C15H16N4O/c16-11-4-7-14(18-9-11)15(20)19(13-5-6-13)10-12-3-1-2-8-17-12/h1-4,7-9,13H,5-6,10,16H2
InChIKeyQLIRLGYIJOUCAC-UHFFFAOYSA-N
XLogP1.86
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 15070
CID 15070
CID 155586901
CID 155586901
CID 72551298
CID 72551298
CID 65975
CID 65975
CID 817096
CID 817096
CID 89487899
CID 89487899
CID 25126154
CID 25126154
CID 168177312
CID 168177312
CID 168177317
CID 168177317
CID 168177329
CID 168177329
CID 258989
CID 258989
CID 10608271
CID 10608271

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 81317198) is 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is Nc1ccc(C(=O)N(Cc2ccccn2)C2CC2)nc1.
What is the InChIKey of 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is QLIRLGYIJOUCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-11-4-7-14(18-9-11)15(20)19(13-5-6-13)10-12-3-1-2-8-17-12/h1-4,7-9,13H,5-6,10,16H2.
What are the key properties of 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 81317198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).