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

C29H30ClN5O7 — CID 135205531

IUPAC5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CC2COCCO2)n2cc(OC)c(-c3cc(Cl)ccc3C3=NOCC3)cc2=O)cn1
InChIInChI=1S/C29H30ClN5O7/c1-31-28(37)24-6-4-18(14-32-24)33-29(38)25(12-19-16-40-9-10-41-19)35-15-26(39-2)22(13-27(35)36)21-11-17(30)3-5-20(21)23-7-8-42-34-23/h3-6,11,13-15,19,25H,7-10,12,16H2,1-2H3,(H,31,37)(H,33,38)
InChIKeyDEFNAUKAAWHGKT-UHFFFAOYSA-N
MW596.04 g/mol
LogP3.04
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-(1,4-dioxan-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-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135205531) has the molecular formula C29H30ClN5O7 and a molecular weight of 596.04 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-(1,4-dioxan-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-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135205531
Molecular FormulaC29H30ClN5O7
Molecular Weight596.04 g/mol
Exact Mass595.18
IUPAC Name5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CC2COCCO2)n2cc(OC)c(-c3cc(Cl)ccc3C3=NOCC3)cc2=O)cn1
InChIInChI=1S/C29H30ClN5O7/c1-31-28(37)24-6-4-18(14-32-24)33-29(38)25(12-19-16-40-9-10-41-19)35-15-26(39-2)22(13-27(35)36)21-11-17(30)3-5-20(21)23-7-8-42-34-23/h3-6,11,13-15,19,25H,7-10,12,16H2,1-2H3,(H,31,37)(H,33,38)
InChIKeyDEFNAUKAAWHGKT-UHFFFAOYSA-N
XLogP3.04
TPSA142.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.04
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(1,4-dioxan-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-(1,4-dioxan-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-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (CID 135205531) is 5-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(1,4-dioxan-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-(1,4-dioxan-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-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CC2COCCO2)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-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is DEFNAUKAAWHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN5O7/c1-31-28(37)24-6-4-18(14-32-24)33-29(38)25(12-19-16-40-9-10-41-19)35-15-26(39-2)22(13-27(35)36)21-11-17(30)3-5-20(21)23-7-8-42-34-23/h3-6,11,13-15,19,25H,7-10,12,16H2,1-2H3,(H,31,37)(H,33,38).
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-(1,4-dioxan-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-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 596.04 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 10 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-(1,4-dioxan-2-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).