(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide

C18H17Cl2N3O3 — CID 35702321

IUPAC(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C18H17Cl2N3O3/c1-26-16-5-4-14(10-21-16)22-17(24)15-3-2-6-23(15)18(25)11-7-12(19)9-13(20)8-11/h4-5,7-10,15H,2-3,6H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeySWOZGZMRBISFKX-HNNXBMFYSA-N
MW394.26 g/mol
LogP3.64
Rot. Bonds4

About (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 35702321) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID35702321
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C18H17Cl2N3O3/c1-26-16-5-4-14(10-21-16)22-17(24)15-3-2-6-23(15)18(25)11-7-12(19)9-13(20)8-11/h4-5,7-10,15H,2-3,6H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeySWOZGZMRBISFKX-HNNXBMFYSA-N
XLogP3.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 71685426
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 52532720
1-(3,5-dichlorobenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-2-carboxamide
CID 55607785
1-(3,5-dichlorobenzoyl)-N-[4-(sulfamoylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 55615882
(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95278526
tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
CID 162353607
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide (CID 35702321) is (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is SWOZGZMRBISFKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-26-16-5-4-14(10-21-16)22-17(24)15-3-2-6-23(15)18(25)11-7-12(19)9-13(20)8-11/h4-5,7-10,15H,2-3,6H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 35702321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).