(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide

C18H22N4O — CID 95107540

IUPAC(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@@H](Nc2cccnc2)C1
InChIInChI=1S/C18H22N4O/c23-18(20-11-8-15-5-2-1-3-6-15)22-12-9-17(14-22)21-16-7-4-10-19-13-16/h1-7,10,13,17,21H,8-9,11-12,14H2,(H,20,23)/t17-/m1/s1
InChIKeyLJIGCUUOODDRLT-QGZVFWFLSA-N
MW310.40 g/mol
LogP2.52
Rot. Bonds5

About (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide

(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide (PubChem CID 95107540) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
PubChem CID95107540
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@@H](Nc2cccnc2)C1
InChIInChI=1S/C18H22N4O/c23-18(20-11-8-15-5-2-1-3-6-15)22-12-9-17(14-22)21-16-7-4-10-19-13-16/h1-7,10,13,17,21H,8-9,11-12,14H2,(H,20,23)/t17-/m1/s1
InChIKeyLJIGCUUOODDRLT-QGZVFWFLSA-N
XLogP2.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
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
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-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide (CID 95107540) is (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CC[C@@H](Nc2cccnc2)C1.
What is the InChIKey of (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The InChIKey is LJIGCUUOODDRLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(20-11-8-15-5-2-1-3-6-15)22-12-9-17(14-22)21-16-7-4-10-19-13-16/h1-7,10,13,17,21H,8-9,11-12,14H2,(H,20,23)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95107540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).