methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate

C17H18ClN3O3 — CID 109165073

IUPACmethyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCCNC(=O)c1ccnc(Nc2cc(C(=O)OC)ccc2Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-3-7-20-16(22)11-6-8-19-15(10-11)21-14-9-12(17(23)24-2)4-5-13(14)18/h4-6,8-10H,3,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGNUNKYDIDWNFGO-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.40
Rot. Bonds6

About methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate

methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate (PubChem CID 109165073) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
PubChem CID109165073
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Namemethyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCCNC(=O)c1ccnc(Nc2cc(C(=O)OC)ccc2Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-3-7-20-16(22)11-6-8-19-15(10-11)21-14-9-12(17(23)24-2)4-5-13(14)18/h4-6,8-10H,3,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGNUNKYDIDWNFGO-UHFFFAOYSA-N
XLogP3.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-[[4-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109167103
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165128
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133
methyl 3-[[6-(butylcarbamoyl)pyrimidin-4-yl]amino]-4-chlorobenzoate
CID 109340147
methyl 4-chloro-3-[[6-(pentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109354582
methyl 4-chloro-3-[[4-(propylamino)pyrimidin-2-yl]amino]benzoate
CID 112881876
methyl 3-[[2-(butylamino)pyrimidin-4-yl]amino]-4-chlorobenzoate
CID 112883109
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
methyl 4-chloro-3-[[6-(3-methylbutylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109354365
methyl 4-chloro-3-[[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 108992829
methyl 4-chloro-3-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109276157
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207218

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate (CID 109165073) is methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate is CCCNC(=O)c1ccnc(Nc2cc(C(=O)OC)ccc2Cl)c1.
What is the InChIKey of methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate?
The InChIKey is GNUNKYDIDWNFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-3-7-20-16(22)11-6-8-19-15(10-11)21-14-9-12(17(23)24-2)4-5-13(14)18/h4-6,8-10H,3,7H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate?
methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109165073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).