(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide

C17H15Cl2N3O2 — CID 51937768

IUPAC(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-6-5-11(9-14(13)19)17(24)22-8-2-4-15(22)16(23)21-12-3-1-7-20-10-12/h1,3,5-7,9-10,15H,2,4,8H2,(H,21,23)/t15-/m0/s1
InChIKeyMSHHOMHDRFECPU-HNNXBMFYSA-N
MW364.23 g/mol
LogP3.63
Rot. Bonds3

About (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide

(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 51937768) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID51937768
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-6-5-11(9-14(13)19)17(24)22-8-2-4-15(22)16(23)21-12-3-1-7-20-10-12/h1,3,5-7,9-10,15H,2,4,8H2,(H,21,23)/t15-/m0/s1
InChIKeyMSHHOMHDRFECPU-HNNXBMFYSA-N
XLogP3.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,4-dichlorobenzoyl)-N-(3-nitrophenyl)pyrrolidine-2-carboxamide
CID 51937572
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
[1-(3,4-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 112820287
3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543
1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 140521967
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51937393
N-(4-bromo-2-methylphenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112819222
N-(2-bromo-4-fluorophenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112835545
1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 175120523
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 51937768) is (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide is O=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is MSHHOMHDRFECPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-13-6-5-11(9-14(13)19)17(24)22-8-2-4-15(22)16(23)21-12-3-1-7-20-10-12/h1,3,5-7,9-10,15H,2,4,8H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 364.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51937768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).