1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide

C19H31N5O3 — CID 55858717

IUPAC1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C19H31N5O3/c1-19(2,3)17(26)22-12-6-8-14(22)16(25)20-10-7-13-24-18(27)23-11-5-4-9-15(23)21-24/h14H,4-13H2,1-3H3,(H,20,25)
InChIKeyHYPUNWIZWMPOSK-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.92
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 55858717) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID55858717
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C19H31N5O3/c1-19(2,3)17(26)22-12-6-8-14(22)16(25)20-10-7-13-24-18(27)23-11-5-4-9-15(23)21-24/h14H,4-13H2,1-3H3,(H,20,25)
InChIKeyHYPUNWIZWMPOSK-UHFFFAOYSA-N
XLogP0.92
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide (CID 55858717) is 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)NCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is HYPUNWIZWMPOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-19(2,3)17(26)22-12-6-8-14(22)16(25)20-10-7-13-24-18(27)23-11-5-4-9-15(23)21-24/h14H,4-13H2,1-3H3,(H,20,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55858717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).