methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate

C19H23N3O3 — CID 109175534

IUPACmethyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCCCN(C)C(=O)c1ccnc(Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H23N3O3/c1-4-5-11-22(2)18(23)14-9-10-20-17(13-14)21-16-8-6-7-15(12-16)19(24)25-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,20,21)
InChIKeyOTTXFAQCCSXNKR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.48
Rot. Bonds7

About methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109175534) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109175534
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCCCN(C)C(=O)c1ccnc(Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H23N3O3/c1-4-5-11-22(2)18(23)14-9-10-20-17(13-14)21-16-8-6-7-15(12-16)19(24)25-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,20,21)
InChIKeyOTTXFAQCCSXNKR-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

N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
methyl 3-[[4-[butyl(methyl)amino]pyrimidin-2-yl]amino]benzoate
CID 112900626
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109175597
methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109159242
methyl 2-[3-(dimethylamino)anilino]pyridine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 146121213
N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide
CID 109175552
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
methyl 3-[[4-(4-acetylpiperazine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109169096
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715
methyl 3-[[6-(butylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340145
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109175534) is methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate is CCCCN(C)C(=O)c1ccnc(Nc2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is OTTXFAQCCSXNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-5-11-22(2)18(23)14-9-10-20-17(13-14)21-16-8-6-7-15(12-16)19(24)25-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 3-[[4-[butyl(methyl)carbamoyl]-2-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 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109175534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).