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

C20H23N7O2 — CID 162654118

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3cccnc3)CCO2)n1
InChIInChI=1S/C20H23N7O2/c1-14(2)27-13-22-25-19(27)16-6-3-7-18(23-16)24-20(28)17-12-26(9-10-29-17)15-5-4-8-21-11-15/h3-8,11,13-14,17H,9-10,12H2,1-2H3,(H,23,24,28)
InChIKeyHMMIWILOKSUQQF-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.16
Rot. Bonds5

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

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 162654118) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID162654118
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3cccnc3)CCO2)n1
InChIInChI=1S/C20H23N7O2/c1-14(2)27-13-22-25-19(27)16-6-3-7-18(23-16)24-20(28)17-12-26(9-10-29-17)15-5-4-8-21-11-15/h3-8,11,13-14,17H,9-10,12H2,1-2H3,(H,23,24,28)
InChIKeyHMMIWILOKSUQQF-UHFFFAOYSA-N
XLogP2.16
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide with MolForge

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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
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide
CID 25138085
(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-pyrazin-2-ylurea
CID 151115055
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
N-pyridin-3-yl-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 72141742
3-[[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]-1,1-dimethylurea
CID 122184947
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]acetamide
CID 122184948

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide (CID 162654118) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3cccnc3)CCO2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is HMMIWILOKSUQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-14(2)27-13-22-25-19(27)16-6-3-7-18(23-16)24-20(28)17-12-26(9-10-29-17)15-5-4-8-21-11-15/h3-8,11,13-14,17H,9-10,12H2,1-2H3,(H,23,24,28).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 162654118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).