N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

C26H32N6O2 — CID 3185085

IUPACN-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1nn(C)cc1C(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C26H32N6O2/c1-19-22(18-31(2)30-19)24(25(33)29-21-11-7-4-8-12-21)32(16-13-20-9-5-3-6-10-20)26(34)23-17-27-14-15-28-23/h3,5-6,9-10,14-15,17-18,21,24H,4,7-8,11-13,16H2,1-2H3,(H,29,33)
InChIKeyXPFJGCZIFXOFRA-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 3185085) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID3185085
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC NameN-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1nn(C)cc1C(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C26H32N6O2/c1-19-22(18-31(2)30-19)24(25(33)29-21-11-7-4-8-12-21)32(16-13-20-9-5-3-6-10-20)26(34)23-17-27-14-15-28-23/h3,5-6,9-10,14-15,17-18,21,24H,4,7-8,11-13,16H2,1-2H3,(H,29,33)
InChIKeyXPFJGCZIFXOFRA-UHFFFAOYSA-N
XLogP3.39
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide with MolForge

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Related Compounds

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CID 25190898
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
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1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-isopropyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440708
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CID 155818571
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
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CID 155531034
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 3185085) is N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is Cc1nn(C)cc1C(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1cnccn1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is XPFJGCZIFXOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-19-22(18-31(2)30-19)24(25(33)29-21-11-7-4-8-12-21)32(16-13-20-9-5-3-6-10-20)26(34)23-17-27-14-15-28-23/h3,5-6,9-10,14-15,17-18,21,24H,4,7-8,11-13,16H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3185085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).