N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide

C29H28N4O2 — CID 23910969

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)c1cnccn1)c1cccc2ccccc12
InChIInChI=1S/C29H28N4O2/c34-28(32-23-14-5-2-6-15-23)27(22-11-3-1-4-12-22)33(29(35)25-20-30-18-19-31-25)26-17-9-13-21-10-7-8-16-24(21)26/h1,3-4,7-13,16-20,23,27H,2,5-6,14-15H2,(H,32,34)
InChIKeyODEVQXRTPAPLOF-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.47
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide (PubChem CID 23910969) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide
PubChem CID23910969
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)c1cnccn1)c1cccc2ccccc12
InChIInChI=1S/C29H28N4O2/c34-28(32-23-14-5-2-6-15-23)27(22-11-3-1-4-12-22)33(29(35)25-20-30-18-19-31-25)26-17-9-13-21-10-7-8-16-24(21)26/h1,3-4,7-13,16-20,23,27H,2,5-6,14-15H2,(H,32,34)
InChIKeyODEVQXRTPAPLOF-UHFFFAOYSA-N
XLogP5.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 1167506
N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide
CID 3184718
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 1167509
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 1167369
N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184828
N-[(1S)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1167318
N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 1167269

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide (CID 23910969) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide is O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)c1cnccn1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide?
The InChIKey is ODEVQXRTPAPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c34-28(32-23-14-5-2-6-15-23)27(22-11-3-1-4-12-22)33(29(35)25-20-30-18-19-31-25)26-17-9-13-21-10-7-8-16-24(21)26/h1,3-4,7-13,16-20,23,27H,2,5-6,14-15H2,(H,32,34).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 23910969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).