N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide

C27H29N3O3 — CID 3206049

IUPACN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)c1
InChIInChI=1S/C27H29N3O3/c1-33-23-16-10-11-20(19-23)25(26(31)29-21-12-4-2-5-13-21)30(22-14-6-3-7-15-22)27(32)24-17-8-9-18-28-24/h3,6-11,14-19,21,25H,2,4-5,12-13H2,1H3,(H,29,31)
InChIKeyZNABVJNXDSAIJG-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.93
Rot. Bonds7

About N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide

N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide (PubChem CID 3206049) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
PubChem CID3206049
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)c1
InChIInChI=1S/C27H29N3O3/c1-33-23-16-10-11-20(19-23)25(26(31)29-21-12-4-2-5-13-21)30(22-14-6-3-7-15-22)27(32)24-17-8-9-18-28-24/h3,6-11,14-19,21,25H,2,4-5,12-13H2,1H3,(H,29,31)
InChIKeyZNABVJNXDSAIJG-UHFFFAOYSA-N
XLogP4.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide
CID 3206109
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 1167509
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3206084

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide (CID 3206049) is N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide is COc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The InChIKey is ZNABVJNXDSAIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-23-16-10-11-20(19-23)25(26(31)29-21-12-4-2-5-13-21)30(22-14-6-3-7-15-22)27(32)24-17-8-9-18-28-24/h3,6-11,14-19,21,25H,2,4-5,12-13H2,1H3,(H,29,31).
What are the key properties of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 3206049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).