1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide

C19H21N5O4 — CID 175120141

IUPAC1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1C(=O)NNC(=O)N1CCCC1C(=O)Nc1cccnc1
InChIInChI=1S/C19H21N5O4/c1-28-16-9-3-2-7-14(16)17(25)22-23-19(27)24-11-5-8-15(24)18(26)21-13-6-4-10-20-12-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyQJPMZTCWDZPXPI-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.55
Rot. Bonds4

About 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide

1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 175120141) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID175120141
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1C(=O)NNC(=O)N1CCCC1C(=O)Nc1cccnc1
InChIInChI=1S/C19H21N5O4/c1-28-16-9-3-2-7-14(16)17(25)22-23-19(27)24-11-5-8-15(24)18(26)21-13-6-4-10-20-12-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyQJPMZTCWDZPXPI-UHFFFAOYSA-N
XLogP1.55
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 175120141) is 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide is COc1ccccc1C(=O)NNC(=O)N1CCCC1C(=O)Nc1cccnc1.
What is the InChIKey of 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is QJPMZTCWDZPXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-28-16-9-3-2-7-14(16)17(25)22-23-19(27)24-11-5-8-15(24)18(26)21-13-6-4-10-20-12-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175120141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).