N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide

C25H25ClN4O2 — CID 1439635

IUPACN-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccccn1)c1cccnc1
InChIInChI=1S/C25H25ClN4O2/c26-19-13-11-18(12-14-19)23(24(31)29-20-7-2-1-3-8-20)30(21-9-6-15-27-17-21)25(32)22-10-4-5-16-28-22/h4-6,9-17,20,23H,1-3,7-8H2,(H,29,31)/t23-/m0/s1
InChIKeyWECLIVXYXIBEKN-QHCPKHFHSA-N
MW448.95 g/mol
LogP4.97
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide

N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 1439635) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID1439635
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccccn1)c1cccnc1
InChIInChI=1S/C25H25ClN4O2/c26-19-13-11-18(12-14-19)23(24(31)29-20-7-2-1-3-8-20)30(21-9-6-15-27-17-21)25(32)22-10-4-5-16-28-22/h4-6,9-17,20,23H,1-3,7-8H2,(H,29,31)/t23-/m0/s1
InChIKeyWECLIVXYXIBEKN-QHCPKHFHSA-N
XLogP4.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3205928
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3206084
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3206049
N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide
CID 46262688
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 5003301
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 1439666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide (CID 1439635) is N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide is O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccccn1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is WECLIVXYXIBEKN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-19-13-11-18(12-14-19)23(24(31)29-20-7-2-1-3-8-20)30(21-9-6-15-27-17-21)25(32)22-10-4-5-16-28-22/h4-6,9-17,20,23H,1-3,7-8H2,(H,29,31)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 1439635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).