N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

C15H17N7O2 — CID 154736412

IUPACN-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C1CN(c2ccnc(C(=O)Nc3nncn3C3CC3)c2)CCN1
InChIInChI=1S/C15H17N7O2/c23-13-8-21(6-5-17-13)11-3-4-16-12(7-11)14(24)19-15-20-18-9-22(15)10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2,(H,17,23)(H,19,20,24)
InChIKeyGALXWKZXFXXJRQ-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.20
Rot. Bonds4

About N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 154736412) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
PubChem CID154736412
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC NameN-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C1CN(c2ccnc(C(=O)Nc3nncn3C3CC3)c2)CCN1
InChIInChI=1S/C15H17N7O2/c23-13-8-21(6-5-17-13)11-3-4-16-12(7-11)14(24)19-15-20-18-9-22(15)10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2,(H,17,23)(H,19,20,24)
InChIKeyGALXWKZXFXXJRQ-UHFFFAOYSA-N
XLogP0.20
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154743352
N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126777633
4-(3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 65363741
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126766253
N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 166218398
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 62925510
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
4-(2-chloro-4-pyridinyl)-1,4-diazepan-2-one
CID 103756757
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide
CID 138997988
3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 51105836

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (CID 154736412) is N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is O=C1CN(c2ccnc(C(=O)Nc3nncn3C3CC3)c2)CCN1.
What is the InChIKey of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is GALXWKZXFXXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c23-13-8-21(6-5-17-13)11-3-4-16-12(7-11)14(24)19-15-20-18-9-22(15)10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2,(H,17,23)(H,19,20,24).
What are the key properties of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 154736412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).