5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide

C16H18ClN3O2 — CID 109179165

IUPAC5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C16H18ClN3O2/c1-3-8-18-16(21)13-6-5-12(10-19-13)20-14-9-11(17)4-7-15(14)22-2/h4-7,9-10,20H,3,8H2,1-2H3,(H,18,21)
InChIKeyWIFKTLMKYJMOTA-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds6

About 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide

5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide (PubChem CID 109179165) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
PubChem CID109179165
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C16H18ClN3O2/c1-3-8-18-16(21)13-6-5-12(10-19-13)20-14-9-11(17)4-7-15(14)22-2/h4-7,9-10,20H,3,8H2,1-2H3,(H,18,21)
InChIKeyWIFKTLMKYJMOTA-UHFFFAOYSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109193668
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109199643
5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586
5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109199397
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide (CID 109179165) is 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)cn1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide?
The InChIKey is WIFKTLMKYJMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-3-8-18-16(21)13-6-5-12(10-19-13)20-14-9-11(17)4-7-15(14)22-2/h4-7,9-10,20H,3,8H2,1-2H3,(H,18,21).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).