3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol

C24H26F2N4O2 — CID 143951656

IUPAC3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol
SMILESCO.Nc1cc(F)c(-c2ccccc2F)nc1C(=O)Nc1cnccc1C1CCCCC1
InChIInChI=1S/C23H22F2N4O.CH4O/c24-17-9-5-4-8-16(17)21-18(25)12-19(26)22(29-21)23(30)28-20-13-27-11-10-15(20)14-6-2-1-3-7-14;1-2/h4-5,8-14H,1-3,6-7,26H2,(H,28,30);2H,1H3
InChIKeyKUUUSZAMEZIVNQ-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.91
Rot. Bonds4

About 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol

3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol (PubChem CID 143951656) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol.

Molecular Properties

Compound Name3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol
PubChem CID143951656
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol
SMILESCO.Nc1cc(F)c(-c2ccccc2F)nc1C(=O)Nc1cnccc1C1CCCCC1
InChIInChI=1S/C23H22F2N4O.CH4O/c24-17-9-5-4-8-16(17)21-18(25)12-19(26)22(29-21)23(30)28-20-13-27-11-10-15(20)14-6-2-1-3-7-14;1-2/h4-5,8-14H,1-3,6-7,26H2,(H,28,30);2H,1H3
InChIKeyKUUUSZAMEZIVNQ-UHFFFAOYSA-N
XLogP4.91
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655194
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655198
3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 67208312
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 118396829
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655187
3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
CID 46178460
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 77420790
[(1S,3R,5S)-3-[3-[[3-amino-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylcyclohexyl] carbamate
CID 70655500
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-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 66554686
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 77420717

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol?
The IUPAC name of 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol (CID 143951656) is 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol.
What is the SMILES notation for 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol?
The canonical SMILES for 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol is CO.Nc1cc(F)c(-c2ccccc2F)nc1C(=O)Nc1cnccc1C1CCCCC1.
What is the InChIKey of 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol?
The InChIKey is KUUUSZAMEZIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O.CH4O/c24-17-9-5-4-8-16(17)21-18(25)12-19(26)22(29-21)23(30)28-20-13-27-11-10-15(20)14-6-2-1-3-7-14;1-2/h4-5,8-14H,1-3,6-7,26H2,(H,28,30);2H,1H3.
What are the key properties of 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol?
3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol has a molecular weight of 440.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol is sourced from PubChem (CID 143951656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).