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

C27H28ClN5O5 — CID 135205781

IUPAC5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide
SMILESCCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCC2)cc1=O
InChIInChI=1S/C27H28ClN5O5/c1-4-5-23(27(36)31-17-7-9-22(30-14-17)26(35)29-2)33-15-24(37-3)20(13-25(33)34)19-12-16(28)6-8-18(19)21-10-11-38-32-21/h6-9,12-15,23H,4-5,10-11H2,1-3H3,(H,29,35)(H,31,36)
InChIKeyFVMMOGSUTBHAJT-UHFFFAOYSA-N
MW538.00 g/mol
LogP4.04
Rot. Bonds9

About 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-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]pentanoylamino]-N-methylpyridine-2-carboxamide (PubChem CID 135205781) has the molecular formula C27H28ClN5O5 and a molecular weight of 538.00 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]pentanoylamino]-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]pentanoylamino]-N-methylpyridine-2-carboxamide
PubChem CID135205781
Molecular FormulaC27H28ClN5O5
Molecular Weight538.00 g/mol
Exact Mass537.18
IUPAC Name5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide
SMILESCCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCC2)cc1=O
InChIInChI=1S/C27H28ClN5O5/c1-4-5-23(27(36)31-17-7-9-22(30-14-17)26(35)29-2)33-15-24(37-3)20(13-25(33)34)19-12-16(28)6-8-18(19)21-10-11-38-32-21/h6-9,12-15,23H,4-5,10-11H2,1-3H3,(H,29,35)(H,31,36)
InChIKeyFVMMOGSUTBHAJT-UHFFFAOYSA-N
XLogP4.04
TPSA123.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.00
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-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]pentanoylamino]-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]pentanoylamino]-N-methylpyridine-2-carboxamide (CID 135205781) is 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-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]pentanoylamino]-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]pentanoylamino]-N-methylpyridine-2-carboxamide is CCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCC2)cc1=O.
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]pentanoylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is FVMMOGSUTBHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O5/c1-4-5-23(27(36)31-17-7-9-22(30-14-17)26(35)29-2)33-15-24(37-3)20(13-25(33)34)19-12-16(28)6-8-18(19)21-10-11-38-32-21/h6-9,12-15,23H,4-5,10-11H2,1-3H3,(H,29,35)(H,31,36).
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]pentanoylamino]-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]pentanoylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 538.00 g/mol, XLogP of 4.04, 9 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-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).