6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one

C24H26FN5O3 — CID 153392132

IUPAC6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one
SMILESCc1ccc(F)c(-c2cc(Nc3ccncc3C(=O)N3CCOCC3)c(N(C)C)[nH]c2=O)c1
InChIInChI=1S/C24H26FN5O3/c1-15-4-5-19(25)16(12-15)17-13-21(22(29(2)3)28-23(17)31)27-20-6-7-26-14-18(20)24(32)30-8-10-33-11-9-30/h4-7,12-14H,8-11H2,1-3H3,(H,26,27)(H,28,31)
InChIKeyBDGQWJQHZULMCV-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.17
Rot. Bonds5

About 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one

6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one (PubChem CID 153392132) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one
PubChem CID153392132
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one
SMILESCc1ccc(F)c(-c2cc(Nc3ccncc3C(=O)N3CCOCC3)c(N(C)C)[nH]c2=O)c1
InChIInChI=1S/C24H26FN5O3/c1-15-4-5-19(25)16(12-15)17-13-21(22(29(2)3)28-23(17)31)27-20-6-7-26-14-18(20)24(32)30-8-10-33-11-9-30/h4-7,12-14H,8-11H2,1-3H3,(H,26,27)(H,28,31)
InChIKeyBDGQWJQHZULMCV-UHFFFAOYSA-N
XLogP3.17
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one with MolForge

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Related Compounds

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
3-(5-chloro-2-fluorophenyl)-6-(dimethylamino)-5-[(3-methyl-4-pyridinyl)amino]-1H-pyridin-2-one;methyl formate
CID 153392191
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
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide
CID 146299096
[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
4-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 136527988
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one?
The IUPAC name of 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one (CID 153392132) is 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one?
The canonical SMILES for 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one is Cc1ccc(F)c(-c2cc(Nc3ccncc3C(=O)N3CCOCC3)c(N(C)C)[nH]c2=O)c1.
What is the InChIKey of 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one?
The InChIKey is BDGQWJQHZULMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-15-4-5-19(25)16(12-15)17-13-21(22(29(2)3)28-23(17)31)27-20-6-7-26-14-18(20)24(32)30-8-10-33-11-9-30/h4-7,12-14H,8-11H2,1-3H3,(H,26,27)(H,28,31).
What are the key properties of 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one?
6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one has a molecular weight of 451.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 153392132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).