N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C13H15N5O2 — CID 71891797

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C13H15N5O2/c1-18-7-15-17-11(18)6-14-12(19)9-5-8-3-2-4-10(8)16-13(9)20/h5,7H,2-4,6H2,1H3,(H,14,19)(H,16,20)
InChIKeyDDSLFOBBHPWFSC-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.08
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71891797) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71891797
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C13H15N5O2/c1-18-7-15-17-11(18)6-14-12(19)9-5-8-3-2-4-10(8)16-13(9)20/h5,7H,2-4,6H2,1H3,(H,14,19)(H,16,20)
InChIKeyDDSLFOBBHPWFSC-UHFFFAOYSA-N
XLogP-0.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71891797) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is Cn1cnnc1CNC(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is DDSLFOBBHPWFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-18-7-15-17-11(18)6-14-12(19)9-5-8-3-2-4-10(8)16-13(9)20/h5,7H,2-4,6H2,1H3,(H,14,19)(H,16,20).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71891797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).