N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide

C16H18ClN3O2 — CID 113033749

IUPACN-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C(C)C)nc2)cc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-10(2)16(21)20-15-7-5-12(9-18-15)19-11-4-6-14(22-3)13(17)8-11/h4-10,19H,1-3H3,(H,18,20,21)
InChIKeyOVFBXYLBZRVWJQ-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.08
Rot. Bonds5

About N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide

N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide (PubChem CID 113033749) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
PubChem CID113033749
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C(C)C)nc2)cc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-10(2)16(21)20-15-7-5-12(9-18-15)19-11-4-6-14(22-3)13(17)8-11/h4-10,19H,1-3H3,(H,18,20,21)
InChIKeyOVFBXYLBZRVWJQ-UHFFFAOYSA-N
XLogP4.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766
2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
CID 113032752
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide (CID 113033749) is N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide is COc1ccc(Nc2ccc(NC(=O)C(C)C)nc2)cc1Cl.
What is the InChIKey of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide?
The InChIKey is OVFBXYLBZRVWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10(2)16(21)20-15-7-5-12(9-18-15)19-11-4-6-14(22-3)13(17)8-11/h4-10,19H,1-3H3,(H,18,20,21).
What are the key properties of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide?
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 113033749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).