1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide

C19H21N5O4 — CID 175120523

IUPAC1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NNC(=O)N2CCCC2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C19H21N5O4/c1-28-15-8-6-13(7-9-15)17(25)22-23-19(27)24-11-3-5-16(24)18(26)21-14-4-2-10-20-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyMEVFEUXSANBQLQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.55
Rot. Bonds4

About 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide

1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 175120523) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID175120523
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NNC(=O)N2CCCC2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C19H21N5O4/c1-28-15-8-6-13(7-9-15)17(25)22-23-19(27)24-11-3-5-16(24)18(26)21-14-4-2-10-20-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyMEVFEUXSANBQLQ-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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Related Compounds

1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 175120141
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 140521967
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 175120523) is 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide is COc1ccc(C(=O)NNC(=O)N2CCCC2C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is MEVFEUXSANBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-28-15-8-6-13(7-9-15)17(25)22-23-19(27)24-11-3-5-16(24)18(26)21-14-4-2-10-20-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
1-[[(4-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-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175120523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).