5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide

C17H18ClN3O2 — CID 109180413

IUPAC5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C17H18ClN3O2/c1-4-7-19-17(22)14-6-5-12(10-20-14)21-15-8-11(2)13(18)9-16(15)23-3/h4-6,8-10,21H,1,7H2,2-3H3,(H,19,22)
InChIKeyUFQSPZLVJJNQOB-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.71
Rot. Bonds6

About 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide

5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109180413) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109180413
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C17H18ClN3O2/c1-4-7-19-17(22)14-6-5-12(10-20-14)21-15-8-11(2)13(18)9-16(15)23-3/h4-6,8-10,21H,1,7H2,2-3H3,(H,19,22)
InChIKeyUFQSPZLVJJNQOB-UHFFFAOYSA-N
XLogP3.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181187
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186744
5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180409
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110513
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide (CID 109180413) is 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1ccc(Nc2cc(C)c(Cl)cc2OC)cn1.
What is the InChIKey of 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is UFQSPZLVJJNQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-4-7-19-17(22)14-6-5-12(10-20-14)21-15-8-11(2)13(18)9-16(15)23-3/h4-6,8-10,21H,1,7H2,2-3H3,(H,19,22).
What are the key properties of 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109180413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).