N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C24H24N4O4 — CID 76551454

IUPACN-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(C(CO)NC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)cc1
InChIInChI=1S/C24H24N4O4/c1-32-21-8-4-16(5-9-21)22(15-29)27-23(30)17-2-6-20(7-3-17)26-24(31)28-13-18-10-11-25-12-19(18)14-28/h2-12,22,29H,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyPKDOWSPMBKSODP-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.10
Rot. Bonds6

About N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 76551454) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID76551454
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(C(CO)NC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)cc1
InChIInChI=1S/C24H24N4O4/c1-32-21-8-4-16(5-9-21)22(15-29)27-23(30)17-2-6-20(7-3-17)26-24(31)28-13-18-10-11-25-12-19(18)14-28/h2-12,22,29H,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyPKDOWSPMBKSODP-UHFFFAOYSA-N
XLogP3.10
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 76551454) is N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is COc1ccc(C(CO)NC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)cc1.
What is the InChIKey of N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is PKDOWSPMBKSODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-32-21-8-4-16(5-9-21)22(15-29)27-23(30)17-2-6-20(7-3-17)26-24(31)28-13-18-10-11-25-12-19(18)14-28/h2-12,22,29H,13-15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 76551454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).