N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide

C25H26F2N4O — CID 46179492

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1
InChIInChI=1S/C25H26F2N4O/c1-14-3-4-20(26)19(11-14)24-21(27)5-6-22(30-24)25(32)31-23-13-29-8-7-18(23)16-9-15(2)10-17(28)12-16/h3-8,11,13,15-17H,9-10,12,28H2,1-2H3,(H,31,32)/t15-,16+,17-/m0/s1
InChIKeyWJGZBNKZPICAFN-BBWFWOEESA-N
MW436.51 g/mol
LogP5.21
Rot. Bonds4

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

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 46179492) has the molecular formula C25H26F2N4O and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
PubChem CID46179492
Molecular FormulaC25H26F2N4O
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1
InChIInChI=1S/C25H26F2N4O/c1-14-3-4-20(26)19(11-14)24-21(27)5-6-22(30-24)25(32)31-23-13-29-8-7-18(23)16-9-15(2)10-17(28)12-16/h3-8,11,13,15-17H,9-10,12,28H2,1-2H3,(H,31,32)/t15-,16+,17-/m0/s1
InChIKeyWJGZBNKZPICAFN-BBWFWOEESA-N
XLogP5.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (CID 46179492) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is WJGZBNKZPICAFN-BBWFWOEESA-N. The full InChI is InChI=1S/C25H26F2N4O/c1-14-3-4-20(26)19(11-14)24-21(27)5-6-22(30-24)25(32)31-23-13-29-8-7-18(23)16-9-15(2)10-17(28)12-16/h3-8,11,13,15-17H,9-10,12,28H2,1-2H3,(H,31,32)/t15-,16+,17-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 46179492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).