4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide

C28H23ClFN5O5 — CID 118978471

IUPAC4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(Cc2coc(C)n2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cc1F
InChIInChI=1S/C28H23ClFN5O5/c1-15-33-19(14-40-15)10-24(28(38)34-18-6-7-20(23(30)9-18)27(37)32-2)35-13-25(39-3)22(11-26(35)36)21-8-17(29)5-4-16(21)12-31/h4-9,11,13-14,24H,10H2,1-3H3,(H,32,37)(H,34,38)
InChIKeyRYVQTLCWTLZHQV-UHFFFAOYSA-N
MW563.97 g/mol
LogP4.27
Rot. Bonds8

About 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide

4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide (PubChem CID 118978471) has the molecular formula C28H23ClFN5O5 and a molecular weight of 563.97 g/mol. Its IUPAC name is 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide
PubChem CID118978471
Molecular FormulaC28H23ClFN5O5
Molecular Weight563.97 g/mol
Exact Mass563.14
IUPAC Name4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(Cc2coc(C)n2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cc1F
InChIInChI=1S/C28H23ClFN5O5/c1-15-33-19(14-40-15)10-24(28(38)34-18-6-7-20(23(30)9-18)27(37)32-2)35-13-25(39-3)22(11-26(35)36)21-8-17(29)5-4-16(21)12-31/h4-9,11,13-14,24H,10H2,1-3H3,(H,32,37)(H,34,38)
InChIKeyRYVQTLCWTLZHQV-UHFFFAOYSA-N
XLogP4.27
TPSA139.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.97
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]-2-fluorobenzamide
CID 118978479
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
CID 118981658
3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
CID 152708450
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylthiophene-2-carboxamide
CID 118978130
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide
CID 175548814
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)-2-oxobutyl]-2-fluorobenzamide
CID 157098749
(2S)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[4-(5-oxo-4H-1,2,4-thiadiazol-3-yl)phenyl]butanamide
CID 137001959
4-[[(2S)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-propan-2-yloxybutanoyl]amino]benzoic acid
CID 122550214
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)-4-methoxybutanamide
CID 166879666
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-cyclobutylpropanoyl]amino]benzoic acid
CID 86297950
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide
CID 175548410
tert-butyl 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoate
CID 118978540

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide (CID 118978471) is 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)C(Cc2coc(C)n2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cc1F.
What is the InChIKey of 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide?
The InChIKey is RYVQTLCWTLZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN5O5/c1-15-33-19(14-40-15)10-24(28(38)34-18-6-7-20(23(30)9-18)27(37)32-2)35-13-25(39-3)22(11-26(35)36)21-8-17(29)5-4-16(21)12-31/h4-9,11,13-14,24H,10H2,1-3H3,(H,32,37)(H,34,38).
What are the key properties of 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide?
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide has a molecular weight of 563.97 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 118978471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).