N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C18H24N6O — CID 124892017

IUPACN-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H24N6O/c1-13-5-2-3-6-15(13)22-18(25)14-10-23(11-14)16-9-17(20-12-19-16)24-8-4-7-21-24/h4,7-9,12-15H,2-3,5-6,10-11H2,1H3,(H,22,25)/t13-,15+/m0/s1
InChIKeyLIBMSHTXWKWZLV-DZGCQCFKSA-N
MW340.43 g/mol
LogP1.79
Rot. Bonds4

About N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 124892017) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID124892017
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H24N6O/c1-13-5-2-3-6-15(13)22-18(25)14-10-23(11-14)16-9-17(20-12-19-16)24-8-4-7-21-24/h4,7-9,12-15H,2-3,5-6,10-11H2,1H3,(H,22,25)/t13-,15+/m0/s1
InChIKeyLIBMSHTXWKWZLV-DZGCQCFKSA-N
XLogP1.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide with MolForge

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Related Compounds

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168715
N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168611
N-(1,2-oxazol-3-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168746
methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
CID 121168618
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520604
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586
N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 94215798
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168767
N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 166887789

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 124892017) is N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is LIBMSHTXWKWZLV-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-5-2-3-6-15(13)22-18(25)14-10-23(11-14)16-9-17(20-12-19-16)24-8-4-7-21-24/h4,7-9,12-15H,2-3,5-6,10-11H2,1H3,(H,22,25)/t13-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 124892017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).