N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide

C21H25N5O — CID 176791101

IUPACN-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCC(NC(=O)c2cnc(-n3nc(C)c4ccccc43)nc2)CC1
InChIInChI=1S/C21H25N5O/c1-3-15-8-10-17(11-9-15)24-20(27)16-12-22-21(23-13-16)26-19-7-5-4-6-18(19)14(2)25-26/h4-7,12-13,15,17H,3,8-11H2,1-2H3,(H,24,27)
InChIKeyVIMLTCNNBPHPRH-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.82
Rot. Bonds4

About N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide

N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide (PubChem CID 176791101) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
PubChem CID176791101
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCC(NC(=O)c2cnc(-n3nc(C)c4ccccc43)nc2)CC1
InChIInChI=1S/C21H25N5O/c1-3-15-8-10-17(11-9-15)24-20(27)16-12-22-21(23-13-16)26-19-7-5-4-6-18(19)14(2)25-26/h4-7,12-13,15,17H,3,8-11H2,1-2H3,(H,24,27)
InChIKeyVIMLTCNNBPHPRH-UHFFFAOYSA-N
XLogP3.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
CID 176790881
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176790912
2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
CID 176791194
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-5-methoxy-6-(3-methylindazol-1-yl)pyridine-3-carboxamide
CID 176790964
N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide
CID 176790792
propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate
CID 176790813
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
tert-butyl 3-[[2-[3-(trifluoromethyl)indazol-1-yl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176791007
N-(4-ethylcyclohexyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 136582264
6-(6-chloro-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 176791178

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide (CID 176791101) is N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide is CCC1CCC(NC(=O)c2cnc(-n3nc(C)c4ccccc43)nc2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is VIMLTCNNBPHPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-15-8-10-17(11-9-15)24-20(27)16-12-22-21(23-13-16)26-19-7-5-4-6-18(19)14(2)25-26/h4-7,12-13,15,17H,3,8-11H2,1-2H3,(H,24,27).
What are the key properties of N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 176791101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).