3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide

C25H26F2N4O3 — CID 66554686

IUPAC3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESC[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@@H](O)[C@]1(C)O
InChIInChI=1S/C25H26F2N4O3/c1-13-10-14(11-21(32)25(13,2)34)15-8-9-29-12-20(15)31-24(33)23-18(28)6-7-19(30-23)22-16(26)4-3-5-17(22)27/h3-9,12-14,21,32,34H,10-11,28H2,1-2H3,(H,31,33)/t13-,14+,21+,25+/m0/s1
InChIKeyYSQICYAVGRGRCW-CPBVFMMISA-N
MW468.50 g/mol
LogP3.88
Rot. Bonds4

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

3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 66554686) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID66554686
Molecular FormulaC25H26F2N4O3
Molecular Weight468.50 g/mol
Exact Mass468.20
IUPAC Name3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESC[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@@H](O)[C@]1(C)O
InChIInChI=1S/C25H26F2N4O3/c1-13-10-14(11-21(32)25(13,2)34)15-8-9-29-12-20(15)31-24(33)23-18(28)6-7-19(30-23)22-16(26)4-3-5-17(22)27/h3-9,12-14,21,32,34H,10-11,28H2,1-2H3,(H,31,33)/t13-,14+,21+,25+/m0/s1
InChIKeyYSQICYAVGRGRCW-CPBVFMMISA-N
XLogP3.88
TPSA121.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]ethanone
CID 160852286
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70656288
3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
CID 123608683
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 118396829
1-[3-amino-6-(3,5,6-trifluoro-2-pyridinyl)-2-pyridinyl]-2-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]ethanone
CID 161289882
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
2-[(1S,2R,4R,6S)-4-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-1,2-dihydroxy-6-methylcyclohexyl]propanoic acid
CID 90330457
2-(2,6-difluorophenyl)-N-[4-[3,4-dihydroxy-4-(hydroxymethyl)-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 77140240
6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-N-[4-[(1S,3S,4S,5R)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70660752
1-[6-(6-acetyl-3-fluoro-2-pyridinyl)-3-amino-2-pyridinyl]-2-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]ethanone
CID 157419652
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
6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 123589289

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 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) is 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide is C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@@H](O)[C@]1(C)O.
What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is YSQICYAVGRGRCW-CPBVFMMISA-N. The full InChI is InChI=1S/C25H26F2N4O3/c1-13-10-14(11-21(32)25(13,2)34)15-8-9-29-12-20(15)31-24(33)23-18(28)6-7-19(30-23)22-16(26)4-3-5-17(22)27/h3-9,12-14,21,32,34H,10-11,28H2,1-2H3,(H,31,33)/t13-,14+,21+,25+/m0/s1.
What are the key properties of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide?
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 468.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 66554686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).