N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide

C28H27N5O3 — CID 3184718

IUPACN-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)c1cnccn1)c1cnc2ccccc2c1
InChIInChI=1S/C28H27N5O3/c34-23-12-10-19(11-13-23)26(27(35)32-21-7-2-1-3-8-21)33(28(36)25-18-29-14-15-30-25)22-16-20-6-4-5-9-24(20)31-17-22/h4-6,9-18,21,26,34H,1-3,7-8H2,(H,32,35)
InChIKeyIFDYDLSCCOXBFY-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.57
Rot. Bonds6

About N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide

N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide (PubChem CID 3184718) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide
PubChem CID3184718
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)c1cnccn1)c1cnc2ccccc2c1
InChIInChI=1S/C28H27N5O3/c34-23-12-10-19(11-13-23)26(27(35)32-21-7-2-1-3-8-21)33(28(36)25-18-29-14-15-30-25)22-16-20-6-4-5-9-24(20)31-17-22/h4-6,9-18,21,26,34H,1-3,7-8H2,(H,32,35)
InChIKeyIFDYDLSCCOXBFY-UHFFFAOYSA-N
XLogP4.57
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 1167269
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide
CID 23910969
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 1167506
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 51552791
N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184828
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 1167509
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-hydroxyphenyl)pyrazine-2-carboxamide
CID 3173750
N-[(1S)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1167318
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide (CID 3184718) is N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide is O=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)c1cnccn1)c1cnc2ccccc2c1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide?
The InChIKey is IFDYDLSCCOXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c34-23-12-10-19(11-13-23)26(27(35)32-21-7-2-1-3-8-21)33(28(36)25-18-29-14-15-30-25)22-16-20-6-4-5-9-24(20)31-17-22/h4-6,9-18,21,26,34H,1-3,7-8H2,(H,32,35).
What are the key properties of N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 3184718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).