[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate

C20H25N5O4 — CID 91454115

IUPAC[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)O[C@@H]1CCNC1)c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C20H25N5O4/c1-28-11-10-25(20(27)29-15-8-9-22-13-15)18-7-6-14(12-23-18)19(26)24-17-5-3-2-4-16(17)21/h2-7,12,15,22H,8-11,13,21H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyYINCARVSOSYZTA-OAHLLOKOSA-N
MW399.45 g/mol
LogP1.87
Rot. Bonds7

About [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate

[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate (PubChem CID 91454115) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
PubChem CID91454115
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)O[C@@H]1CCNC1)c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C20H25N5O4/c1-28-11-10-25(20(27)29-15-8-9-22-13-15)18-7-6-14(12-23-18)19(26)24-17-5-3-2-4-16(17)21/h2-7,12,15,22H,8-11,13,21H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyYINCARVSOSYZTA-OAHLLOKOSA-N
XLogP1.87
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 67430633
[(3S)-1-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-(2-methoxyethyl)pyrrolidin-3-yl]carbamic acid
CID 123642305
5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane
CID 143470395
N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
CID 69360095
N-(2-aminophenyl)-4-[[(3S)-pyrrolidin-3-yl]amino]benzamide;methane
CID 160904181
N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide
CID 91021018
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
CID 68850955
6-(dipropylamino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161816
N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
CID 16662939

Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate (CID 91454115) is [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate is COCCN(C(=O)O[C@@H]1CCNC1)c1ccc(C(=O)Nc2ccccc2N)cn1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is YINCARVSOSYZTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-28-11-10-25(20(27)29-15-8-9-22-13-15)18-7-6-14(12-23-18)19(26)24-17-5-3-2-4-16(17)21/h2-7,12,15,22H,8-11,13,21H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate?
[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 399.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 91454115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).