4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

C22H23F2N5O4 — CID 146299109

IUPAC4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCN(C)c1[nH]c(=O)c(-c2ccc(F)cc2F)cc1Nc1ccncc1C(=O)NC(CO)CO
InChIInChI=1S/C22H23F2N5O4/c1-29(2)20-19(8-15(21(32)28-20)14-4-3-12(23)7-17(14)24)27-18-5-6-25-9-16(18)22(33)26-13(10-30)11-31/h3-9,13,30-31H,10-11H2,1-2H3,(H,25,27)(H,26,33)(H,28,32)
InChIKeyCRXPAAKMVWZQNA-UHFFFAOYSA-N
MW459.45 g/mol
LogP1.61
Rot. Bonds8

About 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 146299109) has the molecular formula C22H23F2N5O4 and a molecular weight of 459.45 g/mol. Its IUPAC name is 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
PubChem CID146299109
Molecular FormulaC22H23F2N5O4
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC Name4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCN(C)c1[nH]c(=O)c(-c2ccc(F)cc2F)cc1Nc1ccncc1C(=O)NC(CO)CO
InChIInChI=1S/C22H23F2N5O4/c1-29(2)20-19(8-15(21(32)28-20)14-4-3-12(23)7-17(14)24)27-18-5-6-25-9-16(18)22(33)26-13(10-30)11-31/h3-9,13,30-31H,10-11H2,1-2H3,(H,25,27)(H,26,33)(H,28,32)
InChIKeyCRXPAAKMVWZQNA-UHFFFAOYSA-N
XLogP1.61
TPSA130.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 51.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 146299048
lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane
CID 157394538
4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;sulfane
CID 159818540
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 58770378
6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one
CID 153392132
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 118211840
3-(5-chloro-2-fluorophenyl)-6-(dimethylamino)-5-[(3-methyl-4-pyridinyl)amino]-1H-pyridin-2-one;methyl formate
CID 153392191
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
CID 146296322
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314
N-(2,4-difluorophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255920
4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 97340290

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (CID 146299109) is 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is CN(C)c1[nH]c(=O)c(-c2ccc(F)cc2F)cc1Nc1ccncc1C(=O)NC(CO)CO.
What is the InChIKey of 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The InChIKey is CRXPAAKMVWZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O4/c1-29(2)20-19(8-15(21(32)28-20)14-4-3-12(23)7-17(14)24)27-18-5-6-25-9-16(18)22(33)26-13(10-30)11-31/h3-9,13,30-31H,10-11H2,1-2H3,(H,25,27)(H,26,33)(H,28,32).
What are the key properties of 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 1.61, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 146299109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).