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

C20H23N5O2 — CID 74240153

IUPACN-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(CCO)NC(=O)c2ccc(-n3cnnc3)nc2)cc1
InChIInChI=1S/C20H23N5O2/c1-14(2)15-3-5-16(6-4-15)18(9-10-26)24-20(27)17-7-8-19(21-11-17)25-12-22-23-13-25/h3-8,11-14,18,26H,9-10H2,1-2H3,(H,24,27)
InChIKeyZDSODHFNTSEGOC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.64
Rot. Bonds7

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

N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 74240153) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID74240153
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(CCO)NC(=O)c2ccc(-n3cnnc3)nc2)cc1
InChIInChI=1S/C20H23N5O2/c1-14(2)15-3-5-16(6-4-15)18(9-10-26)24-20(27)17-7-8-19(21-11-17)25-12-22-23-13-25/h3-8,11-14,18,26H,9-10H2,1-2H3,(H,24,27)
InChIKeyZDSODHFNTSEGOC-UHFFFAOYSA-N
XLogP2.64
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-1-(4-propan-2-ylphenyl)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-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952808
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112809661
N-phenyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 16764606
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70758162
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 74240153) is N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is CC(C)c1ccc(C(CCO)NC(=O)c2ccc(-n3cnnc3)nc2)cc1.
What is the InChIKey of N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is ZDSODHFNTSEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)15-3-5-16(6-4-15)18(9-10-26)24-20(27)17-7-8-19(21-11-17)25-12-22-23-13-25/h3-8,11-14,18,26H,9-10H2,1-2H3,(H,24,27).
What are the key properties of N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 74240153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).