(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide

C18H19Cl2N5O2 — CID 51938469

IUPAC(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C18H19Cl2N5O2/c1-10-8-11(2)22-18(21-10)24-23-16(26)15-4-3-7-25(15)17(27)13-9-12(19)5-6-14(13)20/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,23,26)(H,21,22,24)/t15-/m1/s1
InChIKeyBBWSFLXQWZWCPL-OAHLLOKOSA-N
MW408.29 g/mol
LogP3.15
Rot. Bonds4

About (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide

(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide (PubChem CID 51938469) has the molecular formula C18H19Cl2N5O2 and a molecular weight of 408.29 g/mol. Its IUPAC name is (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide
PubChem CID51938469
Molecular FormulaC18H19Cl2N5O2
Molecular Weight408.29 g/mol
Exact Mass407.09
IUPAC Name(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C18H19Cl2N5O2/c1-10-8-11(2)22-18(21-10)24-23-16(26)15-4-3-7-25(15)17(27)13-9-12(19)5-6-14(13)20/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,23,26)(H,21,22,24)/t15-/m1/s1
InChIKeyBBWSFLXQWZWCPL-OAHLLOKOSA-N
XLogP3.15
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
1-(2,5-dichlorobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55607440
1-(2,5-dichlorobenzoyl)-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55605567
(2S)-1-(2,5-dichlorobenzoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 51938397
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
(2S)-1-(2,5-dichlorobenzoyl)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 52908800
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 95611412
1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide
CID 55631589
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
1-(2,5-dichlorobenzoyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxamide
CID 55618324
1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 55780335

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide?
The IUPAC name of (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide (CID 51938469) is (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide is Cc1cc(C)nc(NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide?
The InChIKey is BBWSFLXQWZWCPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19Cl2N5O2/c1-10-8-11(2)22-18(21-10)24-23-16(26)15-4-3-7-25(15)17(27)13-9-12(19)5-6-14(13)20/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,23,26)(H,21,22,24)/t15-/m1/s1.
What are the key properties of (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide?
(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide has a molecular weight of 408.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 51938469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).