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

C18H18ClN3O2 — CID 109137094

IUPAC1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CC1C(=O)NCc1cccnc1
InChIInChI=1S/C18H18ClN3O2/c1-11-15(19)5-2-6-16(11)22-18(24)14-8-13(14)17(23)21-10-12-4-3-7-20-9-12/h2-7,9,13-14H,8,10H2,1H3,(H,21,23)(H,22,24)
InChIKeySAODTLJJCDDLGM-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.93
Rot. Bonds5

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

1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137094) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137094
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CC1C(=O)NCc1cccnc1
InChIInChI=1S/C18H18ClN3O2/c1-11-15(19)5-2-6-16(11)22-18(24)14-8-13(14)17(23)21-10-12-4-3-7-20-9-12/h2-7,9,13-14H,8,10H2,1H3,(H,21,23)(H,22,24)
InChIKeySAODTLJJCDDLGM-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-(2-chlorophenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137091
1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135371
1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137231
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137086
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137105
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133655
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143029
2-N-(3-chloro-2-methylphenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143030
1-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610132
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109137094) is 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is Cc1c(Cl)cccc1NC(=O)C1CC1C(=O)NCc1cccnc1.
What is the InChIKey of 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is SAODTLJJCDDLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-15(19)5-2-6-16(11)22-18(24)14-8-13(14)17(23)21-10-12-4-3-7-20-9-12/h2-7,9,13-14H,8,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-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-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).