N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C15H21N5O3 — CID 70705641

IUPACN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCn1cnnc1CNC(=O)c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C15H21N5O3/c1-10-7-12(15(22)18-11(10)2)14(21)16-8-13-19-17-9-20(13)5-4-6-23-3/h7,9H,4-6,8H2,1-3H3,(H,16,21)(H,18,22)
InChIKeyKRYGWEPCVZDXSO-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.55
Rot. Bonds7

About N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70705641) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70705641
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCn1cnnc1CNC(=O)c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C15H21N5O3/c1-10-7-12(15(22)18-11(10)2)14(21)16-8-13-19-17-9-20(13)5-4-6-23-3/h7,9H,4-6,8H2,1-3H3,(H,16,21)(H,18,22)
InChIKeyKRYGWEPCVZDXSO-UHFFFAOYSA-N
XLogP0.55
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 70705641) is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is COCCCn1cnnc1CNC(=O)c1cc(C)c(C)[nH]c1=O.
What is the InChIKey of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KRYGWEPCVZDXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-7-12(15(22)18-11(10)2)14(21)16-8-13-19-17-9-20(13)5-4-6-23-3/h7,9H,4-6,8H2,1-3H3,(H,16,21)(H,18,22).
What are the key properties of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70705641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).