4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide

C21H24N6O2 — CID 162649980

IUPAC4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3ccccc3)CCO2)n1
InChIInChI=1S/C21H24N6O2/c1-15(2)27-14-22-25-20(27)17-9-6-10-19(23-17)24-21(28)18-13-26(11-12-29-18)16-7-4-3-5-8-16/h3-10,14-15,18H,11-13H2,1-2H3,(H,23,24,28)
InChIKeyVFJNPXWGBWTJST-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.76
Rot. Bonds5

About 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide

4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide (PubChem CID 162649980) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
PubChem CID162649980
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3ccccc3)CCO2)n1
InChIInChI=1S/C21H24N6O2/c1-15(2)27-14-22-25-20(27)17-9-6-10-19(23-17)24-21(28)18-13-26(11-12-29-18)16-7-4-3-5-8-16/h3-10,14-15,18H,11-13H2,1-2H3,(H,23,24,28)
InChIKeyVFJNPXWGBWTJST-UHFFFAOYSA-N
XLogP2.76
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-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-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide
CID 25074004
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
(2R)-4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
CID 162647791
1-[6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylurea
CID 151600727
1-[6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea
CID 151737186
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide
CID 162645985
propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
CID 162647793
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide
CID 162654118
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]oxane-2-carboxamide
CID 162658960
1-Phenyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149648210
1-[6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-3-ylurea
CID 151043825

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
The IUPAC name of 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide (CID 162649980) is 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
The canonical SMILES for 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3ccccc3)CCO2)n1.
What is the InChIKey of 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
The InChIKey is VFJNPXWGBWTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15(2)27-14-22-25-20(27)17-9-6-10-19(23-17)24-21(28)18-13-26(11-12-29-18)16-7-4-3-5-8-16/h3-10,14-15,18H,11-13H2,1-2H3,(H,23,24,28).
What are the key properties of 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide?
4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine-2-carboxamide is sourced from PubChem (CID 162649980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).