N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide

C27H29N3O6 — CID 59614113

IUPACN-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide
SMILESCN(Cc1ccco1)C(=O)c1cc(C(=O)N2Cc3ccc(OC4CCNCC4)cc3C2)c(O)cc1O
InChIInChI=1S/C27H29N3O6/c1-29(16-21-3-2-10-35-21)26(33)22-12-23(25(32)13-24(22)31)27(34)30-14-17-4-5-20(11-18(17)15-30)36-19-6-8-28-9-7-19/h2-5,10-13,19,28,31-32H,6-9,14-16H2,1H3
InChIKeyGNSVRGDEZHSVPX-UHFFFAOYSA-N
MW491.54 g/mol
LogP3.25
Rot. Bonds6

About N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide

N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide (PubChem CID 59614113) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide
PubChem CID59614113
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide
SMILESCN(Cc1ccco1)C(=O)c1cc(C(=O)N2Cc3ccc(OC4CCNCC4)cc3C2)c(O)cc1O
InChIInChI=1S/C27H29N3O6/c1-29(16-21-3-2-10-35-21)26(33)22-12-23(25(32)13-24(22)31)27(34)30-14-17-4-5-20(11-18(17)15-30)36-19-6-8-28-9-7-19/h2-5,10-13,19,28,31-32H,6-9,14-16H2,1H3
InChIKeyGNSVRGDEZHSVPX-UHFFFAOYSA-N
XLogP3.25
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide (CID 59614113) is N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide is CN(Cc1ccco1)C(=O)c1cc(C(=O)N2Cc3ccc(OC4CCNCC4)cc3C2)c(O)cc1O.
What is the InChIKey of N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
The InChIKey is GNSVRGDEZHSVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-29(16-21-3-2-10-35-21)26(33)22-12-23(25(32)13-24(22)31)27(34)30-14-17-4-5-20(11-18(17)15-30)36-19-6-8-28-9-7-19/h2-5,10-13,19,28,31-32H,6-9,14-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide has a molecular weight of 491.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide is sourced from PubChem (CID 59614113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).