1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide

C18H25N5O3 — CID 172665681

IUPAC1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)c1c(C)ccn(C2CC2)c1=O
InChIInChI=1S/C18H25N5O3/c1-12-7-9-23(14-5-6-14)18(25)15(12)17(24)20-13(2)16-21-19-11-22(16)8-4-10-26-3/h7,9,11,13-14H,4-6,8,10H2,1-3H3,(H,20,24)
InChIKeyVAIZJEZKZRVGFP-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.61
Rot. Bonds8

About 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide

1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172665681) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172665681
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)c1c(C)ccn(C2CC2)c1=O
InChIInChI=1S/C18H25N5O3/c1-12-7-9-23(14-5-6-14)18(25)15(12)17(24)20-13(2)16-21-19-11-22(16)8-4-10-26-3/h7,9,11,13-14H,4-6,8,10H2,1-3H3,(H,20,24)
InChIKeyVAIZJEZKZRVGFP-UHFFFAOYSA-N
XLogP1.61
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172665681) is 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide is COCCCn1cnnc1C(C)NC(=O)c1c(C)ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VAIZJEZKZRVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-7-9-23(14-5-6-14)18(25)15(12)17(24)20-13(2)16-21-19-11-22(16)8-4-10-26-3/h7,9,11,13-14H,4-6,8,10H2,1-3H3,(H,20,24).
What are the key properties of 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172665681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).