N-[5-(2-chloroanilino)-2-pyridinyl]propanamide

C14H14ClN3O — CID 113033183

IUPACN-[5-(2-chloroanilino)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-2-14(19)18-13-8-7-10(9-16-13)17-12-6-4-3-5-11(12)15/h3-9,17H,2H2,1H3,(H,16,18,19)
InChIKeyYNTCPFMYWNLVDX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.83
Rot. Bonds4

About N-[5-(2-chloroanilino)-2-pyridinyl]propanamide

N-[5-(2-chloroanilino)-2-pyridinyl]propanamide (PubChem CID 113033183) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[5-(2-chloroanilino)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(2-chloroanilino)-2-pyridinyl]propanamide
PubChem CID113033183
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[5-(2-chloroanilino)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-2-14(19)18-13-8-7-10(9-16-13)17-12-6-4-3-5-11(12)15/h3-9,17H,2H2,1H3,(H,16,18,19)
InChIKeyYNTCPFMYWNLVDX-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
CID 113033187
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
CID 113036750
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
CID 113022413
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
CID 113036867
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113033448
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloroanilino)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(2-chloroanilino)-2-pyridinyl]propanamide (CID 113033183) is N-[5-(2-chloroanilino)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(2-chloroanilino)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(2-chloroanilino)-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2ccccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloroanilino)-2-pyridinyl]propanamide?
The InChIKey is YNTCPFMYWNLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-2-14(19)18-13-8-7-10(9-16-13)17-12-6-4-3-5-11(12)15/h3-9,17H,2H2,1H3,(H,16,18,19).
What are the key properties of N-[5-(2-chloroanilino)-2-pyridinyl]propanamide?
N-[5-(2-chloroanilino)-2-pyridinyl]propanamide has a molecular weight of 275.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloroanilino)-2-pyridinyl]propanamide is sourced from PubChem (CID 113033183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).