N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide

C22H25N3O3 — CID 167850421

IUPACN-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide
SMILESCn1ccc2c(C(=O)NC(c3ccccc3)C3(CO)CCCC3)[nH]cc2c1=O
InChIInChI=1S/C22H25N3O3/c1-25-12-9-16-17(21(25)28)13-23-18(16)20(27)24-19(15-7-3-2-4-8-15)22(14-26)10-5-6-11-22/h2-4,7-9,12-13,19,23,26H,5-6,10-11,14H2,1H3,(H,24,27)
InChIKeySVUQGDWLTWTKNW-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.89
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide (PubChem CID 167850421) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide
PubChem CID167850421
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide
SMILESCn1ccc2c(C(=O)NC(c3ccccc3)C3(CO)CCCC3)[nH]cc2c1=O
InChIInChI=1S/C22H25N3O3/c1-25-12-9-16-17(21(25)28)13-23-18(16)20(27)24-19(15-7-3-2-4-8-15)22(14-26)10-5-6-11-22/h2-4,7-9,12-13,19,23,26H,5-6,10-11,14H2,1H3,(H,24,27)
InChIKeySVUQGDWLTWTKNW-UHFFFAOYSA-N
XLogP2.89
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide (CID 167850421) is N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide is Cn1ccc2c(C(=O)NC(c3ccccc3)C3(CO)CCCC3)[nH]cc2c1=O.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide?
The InChIKey is SVUQGDWLTWTKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25-12-9-16-17(21(25)28)13-23-18(16)20(27)24-19(15-7-3-2-4-8-15)22(14-26)10-5-6-11-22/h2-4,7-9,12-13,19,23,26H,5-6,10-11,14H2,1H3,(H,24,27).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]-phenylmethyl]-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxamide is sourced from PubChem (CID 167850421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).