2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid

C35H44N4O6 — CID 155338430

IUPAC2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid
SMILESCOc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc4c(cn3)OCCC4CC(=O)O)CC2)c1
InChIInChI=1S/C35H44N4O6/c1-23-7-6-8-31(37-23)39(22-35(2,3)4)34(42)27-10-9-26(43-5)18-29(27)38-14-11-24(12-15-38)21-45-32-19-28-25(17-33(40)41)13-16-44-30(28)20-36-32/h6-10,18-20,24-25H,11-17,21-22H2,1-5H3,(H,40,41)
InChIKeyGGMOOVNOBGCWKO-UHFFFAOYSA-N
MW616.76 g/mol
LogP6.12
Rot. Bonds10

About 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid

2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid (PubChem CID 155338430) has the molecular formula C35H44N4O6 and a molecular weight of 616.76 g/mol. Its IUPAC name is 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid
PubChem CID155338430
Molecular FormulaC35H44N4O6
Molecular Weight616.76 g/mol
Exact Mass616.33
IUPAC Name2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid
SMILESCOc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc4c(cn3)OCCC4CC(=O)O)CC2)c1
InChIInChI=1S/C35H44N4O6/c1-23-7-6-8-31(37-23)39(22-35(2,3)4)34(42)27-10-9-26(43-5)18-29(27)38-14-11-24(12-15-38)21-45-32-19-28-25(17-33(40)41)13-16-44-30(28)20-36-32/h6-10,18-20,24-25H,11-17,21-22H2,1-5H3,(H,40,41)
InChIKeyGGMOOVNOBGCWKO-UHFFFAOYSA-N
XLogP6.12
TPSA114.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid?
The IUPAC name of 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid (CID 155338430) is 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid?
The canonical SMILES for 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid is COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc4c(cn3)OCCC4CC(=O)O)CC2)c1.
What is the InChIKey of 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid?
The InChIKey is GGMOOVNOBGCWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4O6/c1-23-7-6-8-31(37-23)39(22-35(2,3)4)34(42)27-10-9-26(43-5)18-29(27)38-14-11-24(12-15-38)21-45-32-19-28-25(17-33(40)41)13-16-44-30(28)20-36-32/h6-10,18-20,24-25H,11-17,21-22H2,1-5H3,(H,40,41).
What are the key properties of 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid?
2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid has a molecular weight of 616.76 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-c]pyridin-4-yl]acetic acid is sourced from PubChem (CID 155338430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).