N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

C27H28F3N3O2 — CID 123759602

IUPACN-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESCCOc1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)CC(C)C3)ccc2F)c(F)c1
InChIInChI=1S/C27H28F3N3O2/c1-4-35-18-12-21(29)25(22(30)13-18)26-20(28)5-6-23(32-26)27(34)33-24-14-31-8-7-19(24)17-10-15(2)9-16(3)11-17/h5-8,12-17H,4,9-11H2,1-3H3,(H,33,34)
InChIKeyFGZUTCMAODQCOQ-UHFFFAOYSA-N
MW483.53 g/mol
LogP6.75
Rot. Bonds6

About N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 123759602) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
PubChem CID123759602
Molecular FormulaC27H28F3N3O2
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC NameN-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESCCOc1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)CC(C)C3)ccc2F)c(F)c1
InChIInChI=1S/C27H28F3N3O2/c1-4-35-18-12-21(29)25(22(30)13-18)26-20(28)5-6-23(32-26)27(34)33-24-14-31-8-7-19(24)17-10-15(2)9-16(3)11-17/h5-8,12-17H,4,9-11H2,1-3H3,(H,33,34)
InChIKeyFGZUTCMAODQCOQ-UHFFFAOYSA-N
XLogP6.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655474
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(4-ethyl-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 70655059
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(oxetan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655503
methyl 4-[6-[[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-3,5-difluorobenzoate
CID 70654877
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655123
[(3R,5S)-3-[3-[[6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylcyclohexyl]carbamic acid
CID 70654995
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70654631
N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 70654809
4-[6-[[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-3,5-difluorobenzoic acid
CID 70655223
N-[4-[(1S,3S,5R)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68556022
6-(2,6-difluoro-4-formylphenyl)-5-fluoro-N-[4-[(5S)-3-iodo-5-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 88951120
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-[(S)-methylsulfinyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 70654950

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (CID 123759602) is N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is CCOc1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)CC(C)C3)ccc2F)c(F)c1.
What is the InChIKey of N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is FGZUTCMAODQCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2/c1-4-35-18-12-21(29)25(22(30)13-18)26-20(28)5-6-23(32-26)27(34)33-24-14-31-8-7-19(24)17-10-15(2)9-16(3)11-17/h5-8,12-17H,4,9-11H2,1-3H3,(H,33,34).
What are the key properties of N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 123759602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).