N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide

C20H19N3O4 — CID 172661840

IUPACN-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)cc1NC(=O)c1ccccn1
InChIInChI=1S/C20H19N3O4/c1-12-5-6-13(8-17(12)22-18(24)16-4-2-3-7-21-16)19(25)23-9-14-11-27-20(26)15(14)10-23/h2-8,14-15H,9-11H2,1H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyQZTWIAYLKBQVAT-HUUCEWRRSA-N
MW365.39 g/mol
LogP1.89
Rot. Bonds3

About N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide

N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 172661840) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide
PubChem CID172661840
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)cc1NC(=O)c1ccccn1
InChIInChI=1S/C20H19N3O4/c1-12-5-6-13(8-17(12)22-18(24)16-4-2-3-7-21-16)19(25)23-9-14-11-27-20(26)15(14)10-23/h2-8,14-15H,9-11H2,1H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyQZTWIAYLKBQVAT-HUUCEWRRSA-N
XLogP1.89
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide (CID 172661840) is N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide is Cc1ccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)cc1NC(=O)c1ccccn1.
What is the InChIKey of N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is QZTWIAYLKBQVAT-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-5-6-13(8-17(12)22-18(24)16-4-2-3-7-21-16)19(25)23-9-14-11-27-20(26)15(14)10-23/h2-8,14-15H,9-11H2,1H3,(H,22,24)/t14-,15-/m1/s1.
What are the key properties of N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide?
N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 172661840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).