3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide

C25H27F2N4O2P — CID 123608683

IUPAC3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
SMILESCC1CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3P)ccc2N)CC(O)C1CF
InChIInChI=1S/C25H27F2N4O2P/c1-13-9-14(10-21(32)16(13)11-26)15-7-8-29-12-20(15)31-25(33)24-18(28)5-6-19(30-24)23-17(27)3-2-4-22(23)34/h2-8,12-14,16,21,32H,9-11,28,34H2,1H3,(H,31,33)
InChIKeyLTSHZLYTVSFQNP-UHFFFAOYSA-N
MW484.49 g/mol
LogP4.08
Rot. Bonds5

About 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide

3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide (PubChem CID 123608683) has the molecular formula C25H27F2N4O2P and a molecular weight of 484.49 g/mol. Its IUPAC name is 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
PubChem CID123608683
Molecular FormulaC25H27F2N4O2P
Molecular Weight484.49 g/mol
Exact Mass484.18
IUPAC Name3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
SMILESCC1CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3P)ccc2N)CC(O)C1CF
InChIInChI=1S/C25H27F2N4O2P/c1-13-9-14(10-21(32)16(13)11-26)15-7-8-29-12-20(15)31-25(33)24-18(28)5-6-19(30-24)23-17(27)3-2-4-22(23)34/h2-8,12-14,16,21,32H,9-11,28,34H2,1H3,(H,31,33)
InChIKeyLTSHZLYTVSFQNP-UHFFFAOYSA-N
XLogP4.08
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 66554686
5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 123377087
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 118396829
5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123786027
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfinylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
CID 90055873
N-[4-[(1R,3R,4S,5S)-3-amino-4-fluoro-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455739
N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67500033
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
3-amino-N-[4-[(1R,5R)-5-amino-3-methylcyclohex-3-en-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 73213347
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 143951540
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide (CID 123608683) is 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide is CC1CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3P)ccc2N)CC(O)C1CF.
What is the InChIKey of 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide?
The InChIKey is LTSHZLYTVSFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N4O2P/c1-13-9-14(10-21(32)16(13)11-26)15-7-8-29-12-20(15)31-25(33)24-18(28)5-6-19(30-24)23-17(27)3-2-4-22(23)34/h2-8,12-14,16,21,32H,9-11,28,34H2,1H3,(H,31,33).
What are the key properties of 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide?
3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide has a molecular weight of 484.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 123608683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).