3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide

C18H19N3O2 — CID 59607052

IUPAC3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(C(=O)N(C)c2cccnc2)cc1NC(=O)C1CC1
InChIInChI=1S/C18H19N3O2/c1-12-5-6-14(10-16(12)20-17(22)13-7-8-13)18(23)21(2)15-4-3-9-19-11-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,22)
InChIKeyFJDMJDYYGPYVGZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.02
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide

3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide (PubChem CID 59607052) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
PubChem CID59607052
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(C(=O)N(C)c2cccnc2)cc1NC(=O)C1CC1
InChIInChI=1S/C18H19N3O2/c1-12-5-6-14(10-16(12)20-17(22)13-7-8-13)18(23)21(2)15-4-3-9-19-11-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,22)
InChIKeyFJDMJDYYGPYVGZ-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide
CID 118776111
N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998985
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
3-(cyclopentanecarbonylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50980547
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 115268669
N-(5-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 110471858
2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 156732990
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148824
N,6-dimethyl-4-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 81242111
4-hydrazinyl-N,6-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81249779

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide (CID 59607052) is 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide is Cc1ccc(C(=O)N(C)c2cccnc2)cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide?
The InChIKey is FJDMJDYYGPYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-5-6-14(10-16(12)20-17(22)13-7-8-13)18(23)21(2)15-4-3-9-19-11-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,22).
What are the key properties of 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide?
3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 59607052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).