(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

C19H21N3O — CID 53185393

IUPAC(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(Nc2cccnc2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c23-18(19(9-10-19)15-5-2-1-3-6-15)22-12-8-17(14-22)21-16-7-4-11-20-13-16/h1-7,11,13,17,21H,8-10,12,14H2
InChIKeyOQPWNEVADPHIFO-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.83
Rot. Bonds4

About (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 53185393) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
PubChem CID53185393
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(Nc2cccnc2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c23-18(19(9-10-19)15-5-2-1-3-6-15)22-12-8-17(14-22)21-16-7-4-11-20-13-16/h1-7,11,13,17,21H,8-10,12,14H2
InChIKeyOQPWNEVADPHIFO-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
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
(3-anilinopyrrolidin-1-yl)-[4-(4-bromophenyl)oxan-4-yl]methanone
CID 56580619
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (CID 53185393) is (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is O=C(N1CCC(Nc2cccnc2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is OQPWNEVADPHIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-18(19(9-10-19)15-5-2-1-3-6-15)22-12-8-17(14-22)21-16-7-4-11-20-13-16/h1-7,11,13,17,21H,8-10,12,14H2.
What are the key properties of (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 307.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).