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

C18H19N3O3 — CID 109137105

IUPAC1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C18H19N3O3/c1-24-14-6-2-5-13(8-14)21-18(23)16-9-15(16)17(22)20-11-12-4-3-7-19-10-12/h2-8,10,15-16H,9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyVHXIAUOHLNWWPN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.98
Rot. Bonds6

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

1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137105) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137105
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C18H19N3O3/c1-24-14-6-2-5-13(8-14)21-18(23)16-9-15(16)17(22)20-11-12-4-3-7-19-10-12/h2-8,10,15-16H,9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyVHXIAUOHLNWWPN-UHFFFAOYSA-N
XLogP1.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,3S,4R)-3-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11878650
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137094
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137908
2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138121
(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 162806830
1-N-(2,4-dimethoxyphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137267
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137086

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109137105) is 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is COc1cccc(NC(=O)C2CC2C(=O)NCc2cccnc2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VHXIAUOHLNWWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-14-6-2-5-13(8-14)21-18(23)16-9-15(16)17(22)20-11-12-4-3-7-19-10-12/h2-8,10,15-16H,9,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).