N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide

C15H13Cl2N3O — CID 113022258

IUPACN-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nc1)C1CC1
InChIInChI=1S/C15H13Cl2N3O/c16-10-3-5-12(17)13(7-10)20-14-6-4-11(8-18-14)19-15(21)9-1-2-9/h3-9H,1-2H2,(H,18,20)(H,19,21)
InChIKeyMVKCGHULHGJCTN-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.48
Rot. Bonds4

About N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide

N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113022258) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113022258
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nc1)C1CC1
InChIInChI=1S/C15H13Cl2N3O/c16-10-3-5-12(17)13(7-10)20-14-6-4-11(8-18-14)19-15(21)9-1-2-9/h3-9H,1-2H2,(H,18,20)(H,19,21)
InChIKeyMVKCGHULHGJCTN-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-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
CID 113036750
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113022276
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113031057
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113022288
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide (CID 113022258) is N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nc1)C1CC1.
What is the InChIKey of N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is MVKCGHULHGJCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-10-3-5-12(17)13(7-10)20-14-6-4-11(8-18-14)19-15(21)9-1-2-9/h3-9H,1-2H2,(H,18,20)(H,19,21).
What are the key properties of N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide?
N-[6-(2,5-dichloroanilino)-3-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-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113022258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).