N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide

C15H13Cl2N3O — CID 113036819

IUPACN-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2c(Cl)cccc2Cl)cn1)C1CC1
InChIInChI=1S/C15H13Cl2N3O/c16-11-2-1-3-12(17)14(11)19-10-6-7-13(18-8-10)20-15(21)9-4-5-9/h1-3,6-9,19H,4-5H2,(H,18,20,21)
InChIKeyGKZUKRPGFAFVAR-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.48
Rot. Bonds4

About N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 113036819) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID113036819
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2c(Cl)cccc2Cl)cn1)C1CC1
InChIInChI=1S/C15H13Cl2N3O/c16-11-2-1-3-12(17)14(11)19-10-6-7-13(18-8-10)20-15(21)9-4-5-9/h1-3,6-9,19H,4-5H2,(H,18,20,21)
InChIKeyGKZUKRPGFAFVAR-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[5-(quinolin-8-ylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036290
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide (CID 113036819) is N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2c(Cl)cccc2Cl)cn1)C1CC1.
What is the InChIKey of N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is GKZUKRPGFAFVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-11-2-1-3-12(17)14(11)19-10-6-7-13(18-8-10)20-15(21)9-4-5-9/h1-3,6-9,19H,4-5H2,(H,18,20,21).
What are the key properties of N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113036819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).