N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C14H21N5O2 — CID 155503854

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCc2ncnn2C1
InChIInChI=1S/C14H21N5O2/c20-13-3-1-7-18(13)8-2-6-15-14(21)11-4-5-12-16-10-17-19(12)9-11/h10-11H,1-9H2,(H,15,21)
InChIKeyQNVJTZZSVCNDOG-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.03
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 155503854) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID155503854
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCc2ncnn2C1
InChIInChI=1S/C14H21N5O2/c20-13-3-1-7-18(13)8-2-6-15-14(21)11-4-5-12-16-10-17-19(12)9-11/h10-11H,1-9H2,(H,15,21)
InChIKeyQNVJTZZSVCNDOG-UHFFFAOYSA-N
XLogP-0.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 155503854) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is O=C(NCCCN1CCCC1=O)C1CCc2ncnn2C1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is QNVJTZZSVCNDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13-3-1-7-18(13)8-2-6-15-14(21)11-4-5-12-16-10-17-19(12)9-11/h10-11H,1-9H2,(H,15,21).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 155503854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).