N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide

C17H19N3O — CID 113032093

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CC3)nc2)cc1C
InChIInChI=1S/C17H19N3O/c1-11-3-6-14(9-12(11)2)19-15-7-8-16(18-10-15)20-17(21)13-4-5-13/h3,6-10,13,19H,4-5H2,1-2H3,(H,18,20,21)
InChIKeyUMTFGWLANOBNOA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.79
Rot. Bonds4

About N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 113032093) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID113032093
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CC3)nc2)cc1C
InChIInChI=1S/C17H19N3O/c1-11-3-6-14(9-12(11)2)19-15-7-8-16(18-10-15)20-17(21)13-4-5-13/h3,6-10,13,19H,4-5H2,1-2H3,(H,18,20,21)
InChIKeyUMTFGWLANOBNOA-UHFFFAOYSA-N
XLogP3.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide (CID 113032093) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide is Cc1ccc(Nc2ccc(NC(=O)C3CC3)nc2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UMTFGWLANOBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-3-6-14(9-12(11)2)19-15-7-8-16(18-10-15)20-17(21)13-4-5-13/h3,6-10,13,19H,4-5H2,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113032093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).