5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide

C24H19ClFN5O5 — CID 121245926

IUPAC5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ncco2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C24H19ClFN5O5/c1-35-20-12-31(22(32)9-16(20)15-8-13(25)2-4-17(15)26)19(10-21-28-6-7-36-21)24(34)30-14-3-5-18(23(27)33)29-11-14/h2-9,11-12,19H,10H2,1H3,(H2,27,33)(H,30,34)
InChIKeySGNMBPYFKXNKCO-UHFFFAOYSA-N
MW511.90 g/mol
LogP3.22
Rot. Bonds8

About 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245926) has the molecular formula C24H19ClFN5O5 and a molecular weight of 511.90 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide
PubChem CID121245926
Molecular FormulaC24H19ClFN5O5
Molecular Weight511.90 g/mol
Exact Mass511.11
IUPAC Name5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ncco2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C24H19ClFN5O5/c1-35-20-12-31(22(32)9-16(20)15-8-13(25)2-4-17(15)26)19(10-21-28-6-7-36-21)24(34)30-14-3-5-18(23(27)33)29-11-14/h2-9,11-12,19H,10H2,1H3,(H2,27,33)(H,30,34)
InChIKeySGNMBPYFKXNKCO-UHFFFAOYSA-N
XLogP3.22
TPSA142.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.90
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3237467
6-(3-Chloro-phenyl)-5-(tetrahydro-furan-2-yl)-pyridine-2-carboxylic acid (1-methyl-1-oxazol-2-yl-ethyl)-amide
CID 71093645
US10167280, Example 37
CID 121245865
US10167280, Example 14
CID 121245923
US10167280, Example 13
CID 121245924
US10167280, Example 12
CID 121245966
US10421742, Example 24
CID 135211514
US10167280, Example 32
CID 118981586
US10167280, Example 17
CID 118981696
US10167280, Example 36
CID 118981720
US10167280, Example 39
CID 121245872
US10167280, Example 11
CID 121245965

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide (CID 121245926) is 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ncco2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1F.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The InChIKey is SGNMBPYFKXNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O5/c1-35-20-12-31(22(32)9-16(20)15-8-13(25)2-4-17(15)26)19(10-21-28-6-7-36-21)24(34)30-14-3-5-18(23(27)33)29-11-14/h2-9,11-12,19H,10H2,1H3,(H2,27,33)(H,30,34).
What are the key properties of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 511.90 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121245926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).