N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide

C27H30N4O4 — CID 3184738

IUPACN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H30N4O4/c1-34-22-12-8-19(9-13-22)25(26(32)30-20-6-4-3-5-7-20)31(21-10-14-23(35-2)15-11-21)27(33)24-18-28-16-17-29-24/h8-18,20,25H,3-7H2,1-2H3,(H,30,32)
InChIKeyPATZLXONDVLNGV-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.33
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide

N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 3184738) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID3184738
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H30N4O4/c1-34-22-12-8-19(9-13-22)25(26(32)30-20-6-4-3-5-7-20)31(21-10-14-23(35-2)15-11-21)27(33)24-18-28-16-17-29-24/h8-18,20,25H,3-7H2,1-2H3,(H,30,32)
InChIKeyPATZLXONDVLNGV-UHFFFAOYSA-N
XLogP4.33
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 51552791
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 1167369
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 3184750
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 1167506
N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 1167269
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 1167509
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533
N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 3184761
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 3184615
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-[(1S)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1167318
N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1167321

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 3184738) is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is PATZLXONDVLNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-22-12-8-19(9-13-22)25(26(32)30-20-6-4-3-5-7-20)31(21-10-14-23(35-2)15-11-21)27(33)24-18-28-16-17-29-24/h8-18,20,25H,3-7H2,1-2H3,(H,30,32).
What are the key properties of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.33, 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-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3184738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).