2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

C23H24F2N4O4 — CID 162593302

IUPAC2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(NCCO)c1
InChIInChI=1S/C23H24F2N4O4/c1-14-2-3-17(29-22(32)15-4-5-26-19(10-15)21(24)25)12-18(14)16-11-20(27-6-7-30)23(28-13-16)33-9-8-31/h2-5,10-13,21,27,30-31H,6-9H2,1H3,(H,29,32)
InChIKeyTWVNGZFGZQWMMC-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.42
Rot. Bonds10

About 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 162593302) has the molecular formula C23H24F2N4O4 and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID162593302
Molecular FormulaC23H24F2N4O4
Molecular Weight458.47 g/mol
Exact Mass458.18
IUPAC Name2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(NCCO)c1
InChIInChI=1S/C23H24F2N4O4/c1-14-2-3-17(29-22(32)15-4-5-26-19(10-15)21(24)25)12-18(14)16-11-20(27-6-7-30)23(28-13-16)33-9-8-31/h2-5,10-13,21,27,30-31H,6-9H2,1H3,(H,29,32)
InChIKeyTWVNGZFGZQWMMC-UHFFFAOYSA-N
XLogP3.42
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90460976
2-fluoro-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425724
N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 136572532
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 168930703
2-(1,1-difluoroethyl)-N-[3-[5-(2-methoxyethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;ethane-1,2-diol
CID 145332960
2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609529
N-[3-[2-(2-hydroxyethoxy)-6-[(6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-1-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167205617
N-[3-[(4aR,6R)-6-(2-hydroxyethoxy)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 129272310
N-[3-[2-[2-[hydroxy(methylamino)methyl]-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 170107176
2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609473
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609474
N-[3-[2-(2-hydroxyethoxy)-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167353170

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 162593302) is 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(NCCO)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is TWVNGZFGZQWMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4/c1-14-2-3-17(29-22(32)15-4-5-26-19(10-15)21(24)25)12-18(14)16-11-20(27-6-7-30)23(28-13-16)33-9-8-31/h2-5,10-13,21,27,30-31H,6-9H2,1H3,(H,29,32).
What are the key properties of 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 3.42, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 162593302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).