N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C14H18N6O2 — CID 91952808

IUPACN-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C14H18N6O2/c1-10(2)19-13(21)5-6-15-14(22)11-3-4-12(16-7-11)20-8-17-18-9-20/h3-4,7-10H,5-6H2,1-2H3,(H,15,22)(H,19,21)
InChIKeyRMAIMIVKUVIEND-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.31
Rot. Bonds6

About N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 91952808) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID91952808
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C14H18N6O2/c1-10(2)19-13(21)5-6-15-14(22)11-3-4-12(16-7-11)20-8-17-18-9-20/h3-4,7-10H,5-6H2,1-2H3,(H,15,22)(H,19,21)
InChIKeyRMAIMIVKUVIEND-UHFFFAOYSA-N
XLogP0.31
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74240153
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74246890
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
CID 51089057
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952762
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62177054
N-phenyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 16764606
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74244555

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 91952808) is N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is CC(C)NC(=O)CCNC(=O)c1ccc(-n2cnnc2)nc1.
What is the InChIKey of N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is RMAIMIVKUVIEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10(2)19-13(21)5-6-15-14(22)11-3-4-12(16-7-11)20-8-17-18-9-20/h3-4,7-10H,5-6H2,1-2H3,(H,15,22)(H,19,21).
What are the key properties of N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91952808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).