methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate

C19H23N3O3 — CID 109195986

IUPACmethyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)OC)cn1
InChIInChI=1S/C19H23N3O3/c1-4-5-12-22(2)18(23)17-11-10-14(13-20-17)21-16-9-7-6-8-15(16)19(24)25-3/h6-11,13,21H,4-5,12H2,1-3H3
InChIKeyORELCAANUJPEJK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.48
Rot. Bonds7

About methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate

methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109195986) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109195986
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)OC)cn1
InChIInChI=1S/C19H23N3O3/c1-4-5-12-22(2)18(23)17-11-10-14(13-20-17)21-16-9-7-6-8-15(16)19(24)25-3/h6-11,13,21H,4-5,12H2,1-3H3
InChIKeyORELCAANUJPEJK-UHFFFAOYSA-N
XLogP3.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109196018
N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109196007
methyl 2-[[6-[butyl(methyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112847085
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195948
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189433

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109195986) is methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate is CCCCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)OC)cn1.
What is the InChIKey of methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is ORELCAANUJPEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-5-12-22(2)18(23)17-11-10-14(13-20-17)21-16-9-7-6-8-15(16)19(24)25-3/h6-11,13,21H,4-5,12H2,1-3H3.
What are the key properties of methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate?
methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109195986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).