N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide

C23H21ClF4N4O2 — CID 146296482

IUPACN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide
SMILESCC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NC(=O)CCC(F)(F)F)c1
InChIInChI=1S/C23H21ClF4N4O2/c1-12(2)21-18(11-16(22(34)32-21)15-9-13(24)3-4-17(15)25)30-14-6-8-29-19(10-14)31-20(33)5-7-23(26,27)28/h3-4,6,8-12H,5,7H2,1-2H3,(H,32,34)(H2,29,30,31,33)
InChIKeyLWAINNGOJGWHPG-UHFFFAOYSA-N
MW496.89 g/mol
LogP6.38
Rot. Bonds7

About N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide

N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide (PubChem CID 146296482) has the molecular formula C23H21ClF4N4O2 and a molecular weight of 496.89 g/mol. Its IUPAC name is N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide
PubChem CID146296482
Molecular FormulaC23H21ClF4N4O2
Molecular Weight496.89 g/mol
Exact Mass496.13
IUPAC NameN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide
SMILESCC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NC(=O)CCC(F)(F)F)c1
InChIInChI=1S/C23H21ClF4N4O2/c1-12(2)21-18(11-16(22(34)32-21)15-9-13(24)3-4-17(15)25)30-14-6-8-29-19(10-14)31-20(33)5-7-23(26,27)28/h3-4,6,8-12H,5,7H2,1-2H3,(H,32,34)(H2,29,30,31,33)
InChIKeyLWAINNGOJGWHPG-UHFFFAOYSA-N
XLogP6.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.89
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide with MolForge

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Related Compounds

N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
CID 146296491
3-(5-chloro-2-fluorophenyl)-5-[(2-nitro-4-pyridinyl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146296471
N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
CID 146296386
N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
CID 154614418
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-5,7-dihydrocyclopenta[b]pyridin-6-one
CID 162007063
5-[(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)amino]-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146299094
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
3-(5-chloro-2-fluorophenyl)-5-[(2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299218
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one
CID 146296469
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299226
5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
CID 159080394

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide (CID 146296482) is N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide is CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NC(=O)CCC(F)(F)F)c1.
What is the InChIKey of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide?
The InChIKey is LWAINNGOJGWHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF4N4O2/c1-12(2)21-18(11-16(22(34)32-21)15-9-13(24)3-4-17(15)25)30-14-6-8-29-19(10-14)31-20(33)5-7-23(26,27)28/h3-4,6,8-12H,5,7H2,1-2H3,(H,32,34)(H2,29,30,31,33).
What are the key properties of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide?
N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide has a molecular weight of 496.89 g/mol, XLogP of 6.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 146296482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).