N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide

C24H23F3N4O — CID 68553673

IUPACN-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESC[C@@H]1C[C@@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)cc3F)n2)C1
InChIInChI=1S/C24H23F3N4O/c1-13-8-14(10-16(28)9-13)17-6-7-29-12-22(17)31-24(32)21-5-4-19(26)23(30-21)18-3-2-15(25)11-20(18)27/h2-7,11-14,16H,8-10,28H2,1H3,(H,31,32)/t13-,14+,16+/m0/s1
InChIKeyIFDWSONRKKYDJB-SQWLQELKSA-N
MW440.47 g/mol
LogP5.04
Rot. Bonds4

About N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide

N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 68553673) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide
PubChem CID68553673
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC NameN-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESC[C@@H]1C[C@@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)cc3F)n2)C1
InChIInChI=1S/C24H23F3N4O/c1-13-8-14(10-16(28)9-13)17-6-7-29-12-22(17)31-24(32)21-5-4-19(26)23(30-21)18-3-2-15(25)11-20(18)27/h2-7,11-14,16H,8-10,28H2,1H3,(H,31,32)/t13-,14+,16+/m0/s1
InChIKeyIFDWSONRKKYDJB-SQWLQELKSA-N
XLogP5.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S,3S,5R)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68556022
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,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
CID 126970584
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-[(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
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
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-[(1S)-1-hydroxyethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 70654904
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,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxamide
CID 70655129
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-pyridazin-4-ylphenyl)-5-fluoropyridine-2-carboxamide
CID 70654773
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655127
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide (CID 68553673) is N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide is C[C@@H]1C[C@@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)cc3F)n2)C1.
What is the InChIKey of N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is IFDWSONRKKYDJB-SQWLQELKSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-13-8-14(10-16(28)9-13)17-6-7-29-12-22(17)31-24(32)21-5-4-19(26)23(30-21)18-3-2-15(25)11-20(18)27/h2-7,11-14,16H,8-10,28H2,1H3,(H,31,32)/t13-,14+,16+/m0/s1.
What are the key properties of N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide?
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,4-difluorophenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 68553673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).