N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide

C26H25F2N3O2 — CID 1439658

IUPACN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C26H25F2N3O2/c27-19-11-9-18(10-12-19)24(25(32)30-21-6-2-1-3-7-21)31(22-15-13-20(28)14-16-22)26(33)23-8-4-5-17-29-23/h4-5,8-17,21,24H,1-3,6-7H2,(H,30,32)/t24-/m1/s1
InChIKeyJTVVDXWATCOXHZ-XMMPIXPASA-N
MW449.50 g/mol
LogP5.20
Rot. Bonds6

About N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 1439658) has the molecular formula C26H25F2N3O2 and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID1439658
Molecular FormulaC26H25F2N3O2
Molecular Weight449.50 g/mol
Exact Mass449.19
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C26H25F2N3O2/c27-19-11-9-18(10-12-19)24(25(32)30-21-6-2-1-3-7-21)31(22-15-13-20(28)14-16-22)26(33)23-8-4-5-17-29-23/h4-5,8-17,21,24H,1-3,6-7H2,(H,30,32)/t24-/m1/s1
InChIKeyJTVVDXWATCOXHZ-XMMPIXPASA-N
XLogP5.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3206084
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 1439666
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 3200686
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3205979
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide
CID 3206109
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 3228313
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3206049
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide (CID 1439658) is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide is O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is JTVVDXWATCOXHZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H25F2N3O2/c27-19-11-9-18(10-12-19)24(25(32)30-21-6-2-1-3-7-21)31(22-15-13-20(28)14-16-22)26(33)23-8-4-5-17-29-23/h4-5,8-17,21,24H,1-3,6-7H2,(H,30,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide?
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 1439658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).