N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide

C14H13Cl2N3O — CID 113036750

IUPACN-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C14H13Cl2N3O/c1-2-14(20)19-13-6-4-10(8-17-13)18-12-7-9(15)3-5-11(12)16/h3-8,18H,2H2,1H3,(H,17,19,20)
InChIKeyKIIOCRXWGIJYQS-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.48
Rot. Bonds4

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

N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide (PubChem CID 113036750) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
PubChem CID113036750
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC NameN-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C14H13Cl2N3O/c1-2-14(20)19-13-6-4-10(8-17-13)18-12-7-9(15)3-5-11(12)16/h3-8,18H,2H2,1H3,(H,17,19,20)
InChIKeyKIIOCRXWGIJYQS-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
CID 113033187
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
methyl 4-chloro-3-[[6-(2-ethylbutanoylamino)-3-pyridinyl]amino]benzoate
CID 113035445
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113022288

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide (CID 113036750) is N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide?
The InChIKey is KIIOCRXWGIJYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-2-14(20)19-13-6-4-10(8-17-13)18-12-7-9(15)3-5-11(12)16/h3-8,18H,2H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide?
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide has a molecular weight of 310.18 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-(2,5-dichloroanilino)-2-pyridinyl]propanamide is sourced from PubChem (CID 113036750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).