(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

C17H19N3O2 — CID 95107411

IUPAC(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC[C@H](Nc2cccnc2)C1
InChIInChI=1S/C17H19N3O2/c1-22-16-7-3-2-6-15(16)17(21)20-10-8-14(12-20)19-13-5-4-9-18-11-13/h2-7,9,11,14,19H,8,10,12H2,1H3/t14-/m0/s1
InChIKeyPJHZWBKFLQDUOC-AWEZNQCLSA-N
MW297.36 g/mol
LogP2.42
Rot. Bonds4

About (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 95107411) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
PubChem CID95107411
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC[C@H](Nc2cccnc2)C1
InChIInChI=1S/C17H19N3O2/c1-22-16-7-3-2-6-15(16)17(21)20-10-8-14(12-20)19-13-5-4-9-18-11-13/h2-7,9,11,14,19H,8,10,12H2,1H3/t14-/m0/s1
InChIKeyPJHZWBKFLQDUOC-AWEZNQCLSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (CID 95107411) is (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is COc1ccccc1C(=O)N1CC[C@H](Nc2cccnc2)C1.
What is the InChIKey of (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is PJHZWBKFLQDUOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-16-7-3-2-6-15(16)17(21)20-10-8-14(12-20)19-13-5-4-9-18-11-13/h2-7,9,11,14,19H,8,10,12H2,1H3/t14-/m0/s1.
What are the key properties of (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95107411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).