methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate

C25H27N3O6 — CID 67521451

IUPACmethyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(CC(C)C)N2CC3=C(Oc4cccc(OC)c4C3)C2=O)nc1
InChIInChI=1S/C25H27N3O6/c1-14(2)10-18(23(29)27-21-9-8-15(12-26-21)25(31)33-4)28-13-16-11-17-19(32-3)6-5-7-20(17)34-22(16)24(28)30/h5-9,12,14,18H,10-11,13H2,1-4H3,(H,26,27,29)
InChIKeyAUQLZCWIYJYNOE-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.96
Rot. Bonds7

About methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate

methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate (PubChem CID 67521451) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate
PubChem CID67521451
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Namemethyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(CC(C)C)N2CC3=C(Oc4cccc(OC)c4C3)C2=O)nc1
InChIInChI=1S/C25H27N3O6/c1-14(2)10-18(23(29)27-21-9-8-15(12-26-21)25(31)33-4)28-13-16-11-17-19(32-3)6-5-7-20(17)34-22(16)24(28)30/h5-9,12,14,18H,10-11,13H2,1-4H3,(H,26,27,29)
InChIKeyAUQLZCWIYJYNOE-UHFFFAOYSA-N
XLogP2.96
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

8-methoxy-2-[(3S)-5-methyl-2-oxo-1-(1,3-thiazol-2-yl)hexan-3-yl]-1,9-dihydrochromeno[2,3-c]pyrrol-3-one
CID 58566252
2-[7-(carboxymethoxy)-3-methoxycarbonyl-6-oxobenzo[b][1,4]benzoxazepin-5-yl]acetic acid
CID 10250433
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
cyclobutyl 6-(2-bromopropanoylamino)pyridine-3-carboxylate
CID 163237778
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 18791405
methyl 2-[[4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71709946
(2S)-N-(5-methyl-2-pyridinyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688754
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]pyridine-4-carboxylate
CID 108755491
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate (CID 67521451) is methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)C(CC(C)C)N2CC3=C(Oc4cccc(OC)c4C3)C2=O)nc1.
What is the InChIKey of methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate?
The InChIKey is AUQLZCWIYJYNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-14(2)10-18(23(29)27-21-9-8-15(12-26-21)25(31)33-4)28-13-16-11-17-19(32-3)6-5-7-20(17)34-22(16)24(28)30/h5-9,12,14,18H,10-11,13H2,1-4H3,(H,26,27,29).
What are the key properties of methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate?
methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(8-methoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 67521451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).