1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C18H18ClN3O2 — CID 109136942

IUPAC1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C18H18ClN3O2/c1-11-5-6-12(8-16(11)19)22-18(24)15-9-14(15)17(23)21-10-13-4-2-3-7-20-13/h2-8,14-15H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyWWZBRDCBTWWMMC-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.93
Rot. Bonds5

About 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109136942) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109136942
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C18H18ClN3O2/c1-11-5-6-12(8-16(11)19)22-18(24)15-9-14(15)17(23)21-10-13-4-2-3-7-20-13/h2-8,14-15H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyWWZBRDCBTWWMMC-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-difluorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137014
1-N-(2,4-dichlorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136999
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136961
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105950
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136931
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137853
2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141923
(3R)-1-(3-chloro-4-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 92985896
2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109136942) is 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)NCc2ccccn2)cc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is WWZBRDCBTWWMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-5-6-12(8-16(11)19)22-18(24)15-9-14(15)17(23)21-10-13-4-2-3-7-20-13/h2-8,14-15H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).