N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide

C18H19Cl2N3O — CID 51125416

IUPACN-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCCC1c1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O/c1-12(13-7-8-14(19)15(20)11-13)22-18(24)23-10-4-6-17(23)16-5-2-3-9-21-16/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3,(H,22,24)/t12-,17?/m1/s1
InChIKeyMDRRTQFFWYBARY-MTATWXBHSA-N
MW364.28 g/mol
LogP5.00
Rot. Bonds3

About N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 51125416) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID51125416
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCCC1c1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O/c1-12(13-7-8-14(19)15(20)11-13)22-18(24)23-10-4-6-17(23)16-5-2-3-9-21-16/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3,(H,22,24)/t12-,17?/m1/s1
InChIKeyMDRRTQFFWYBARY-MTATWXBHSA-N
XLogP5.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819037
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97278092
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87006691
4-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]piperidine-1-carboxamide
CID 95284112
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide (CID 51125416) is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide is C[C@@H](NC(=O)N1CCCC1c1ccccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is MDRRTQFFWYBARY-MTATWXBHSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-12(13-7-8-14(19)15(20)11-13)22-18(24)23-10-4-6-17(23)16-5-2-3-9-21-16/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3,(H,22,24)/t12-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51125416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).