5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide

C30H32ClN5O6 — CID 135205449

IUPAC5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(C[C@@H]2CCCCO2)n2cc(OC)c(-c3cc(Cl)ccc3C3=NOCC3)cc2=O)cn1
InChIInChI=1S/C30H32ClN5O6/c1-32-29(38)25-9-7-19(16-33-25)34-30(39)26(14-20-5-3-4-11-41-20)36-17-27(40-2)23(15-28(36)37)22-13-18(31)6-8-21(22)24-10-12-42-35-24/h6-9,13,15-17,20,26H,3-5,10-12,14H2,1-2H3,(H,32,38)(H,34,39)/t20-,26?/m0/s1
InChIKeyYJLNILRUWJVMCG-DQUNLGLBSA-N
MW594.07 g/mol
LogP4.20
Rot. Bonds9

About 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135205449) has the molecular formula C30H32ClN5O6 and a molecular weight of 594.07 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135205449
Molecular FormulaC30H32ClN5O6
Molecular Weight594.07 g/mol
Exact Mass593.20
IUPAC Name5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(C[C@@H]2CCCCO2)n2cc(OC)c(-c3cc(Cl)ccc3C3=NOCC3)cc2=O)cn1
InChIInChI=1S/C30H32ClN5O6/c1-32-29(38)25-9-7-19(16-33-25)34-30(39)26(14-20-5-3-4-11-41-20)36-17-27(40-2)23(15-28(36)37)22-13-18(31)6-8-21(22)24-10-12-42-35-24/h6-9,13,15-17,20,26H,3-5,10-12,14H2,1-2H3,(H,32,38)(H,34,39)/t20-,26?/m0/s1
InChIKeyYJLNILRUWJVMCG-DQUNLGLBSA-N
XLogP4.20
TPSA133.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.07
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide (CID 135205449) is 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(C[C@@H]2CCCCO2)n2cc(OC)c(-c3cc(Cl)ccc3C3=NOCC3)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is YJLNILRUWJVMCG-DQUNLGLBSA-N. The full InChI is InChI=1S/C30H32ClN5O6/c1-32-29(38)25-9-7-19(16-33-25)34-30(39)26(14-20-5-3-4-11-41-20)36-17-27(40-2)23(15-28(36)37)22-13-18(31)6-8-21(22)24-10-12-42-35-24/h6-9,13,15-17,20,26H,3-5,10-12,14H2,1-2H3,(H,32,38)(H,34,39)/t20-,26?/m0/s1.
What are the key properties of 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 594.07 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-[(2S)-oxan-2-yl]propanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).