methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate

C19H22ClN3O3 — CID 109217873

IUPACmethyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
SMILESCCCCN(C)c1ccnc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-4-5-10-23(2)14-8-9-21-17(12-14)18(24)22-16-11-13(19(25)26-3)6-7-15(16)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,24)
InChIKeyFLYFAGIDYDNTHZ-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.01
Rot. Bonds7

About methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate

methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate (PubChem CID 109217873) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
PubChem CID109217873
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Namemethyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
SMILESCCCCN(C)c1ccnc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-4-5-10-23(2)14-8-9-21-17(12-14)18(24)22-16-11-13(19(25)26-3)6-7-15(16)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,24)
InChIKeyFLYFAGIDYDNTHZ-UHFFFAOYSA-N
XLogP4.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(methyl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109217852
methyl 3-[[butyl(methyl)carbamoyl]amino]-4-chlorobenzoate
CID 108990819
N-(5-acetyl-2-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 99828836
methyl 4-chloro-3-[[4-(prop-2-enylamino)pyridine-2-carbonyl]amino]benzoate
CID 109202416
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
methyl 4-chloro-3-[[4-(2-methylpropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109203186
methyl 3-[[5-(butylamino)pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109180960
methyl 3-[[6-[butyl(methyl)amino]pyrimidin-4-yl]amino]-4-chlorobenzoate
CID 112864253
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109174778

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate (CID 109217873) is methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate is CCCCN(C)c1ccnc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)c1.
What is the InChIKey of methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate?
The InChIKey is FLYFAGIDYDNTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-4-5-10-23(2)14-8-9-21-17(12-14)18(24)22-16-11-13(19(25)26-3)6-7-15(16)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,24).
What are the key properties of methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate?
methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate has a molecular weight of 375.86 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate is sourced from PubChem (CID 109217873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).