N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide

C17H18N4O2 — CID 113035182

IUPACN-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)C3CC3)nc2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(22)19-13-4-6-14(7-5-13)20-15-8-9-16(18-10-15)21-17(23)12-2-3-12/h4-10,12,20H,2-3H2,1H3,(H,19,22)(H,18,21,23)
InChIKeyZZGSUINIEPLFIS-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.13
Rot. Bonds5

About N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 113035182) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID113035182
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)C3CC3)nc2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(22)19-13-4-6-14(7-5-13)20-15-8-9-16(18-10-15)21-17(23)12-2-3-12/h4-10,12,20H,2-3H2,1H3,(H,19,22)(H,18,21,23)
InChIKeyZZGSUINIEPLFIS-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113035088
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113034331
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide (CID 113035182) is N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)C3CC3)nc2)cc1.
What is the InChIKey of N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZZGSUINIEPLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(22)19-13-4-6-14(7-5-13)20-15-8-9-16(18-10-15)21-17(23)12-2-3-12/h4-10,12,20H,2-3H2,1H3,(H,19,22)(H,18,21,23).
What are the key properties of N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113035182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).