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

C15H23N5O4 — CID 155938256

IUPACformic acid;N-[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.O=CO
InChIInChI=1S/C14H21N5O2.CH2O2/c20-13-3-1-7-18(13)8-2-6-15-14(21)11-4-5-12-16-10-17-19(12)9-11;2-1-3/h10-11H,1-9H2,(H,15,21);1H,(H,2,3)
InChIKeyAZNVNHHBWFFAKE-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.33
Rot. Bonds5

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

formic acid;N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 155938256) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is formic acid;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 Nameformic acid;N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID155938256
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Nameformic acid;N-[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.O=CO
InChIInChI=1S/C14H21N5O2.CH2O2/c20-13-3-1-7-18(13)8-2-6-15-14(21)11-4-5-12-16-10-17-19(12)9-11;2-1-3/h10-11H,1-9H2,(H,15,21);1H,(H,2,3)
InChIKeyAZNVNHHBWFFAKE-UHFFFAOYSA-N
XLogP-0.33
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154567909
Formic acid;5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one
CID 154884709
Formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 154907135
formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
CID 154909775
N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide formate
CID 155503854
N-[3-(1H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide formate
CID 155508064
formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155938302
Formic acid;5-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2,5,7-triazaspiro[3.4]octan-6-one
CID 155939999
[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid
CID 163333985
Formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 163334360
formic acid;N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 163334455
formic acid;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 163334547

Frequently Asked Questions

What is the IUPAC name of formic acid;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 formic acid;N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 155938256) is formic acid;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 formic acid;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 formic acid;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.O=CO.
What is the InChIKey of formic acid;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 AZNVNHHBWFFAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2.CH2O2/c20-13-3-1-7-18(13)8-2-6-15-14(21)11-4-5-12-16-10-17-19(12)9-11;2-1-3/h10-11H,1-9H2,(H,15,21);1H,(H,2,3).
What are the key properties of formic acid;N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
formic acid;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 337.38 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;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 155938256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).