ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

C22H27N3O4 — CID 109090611

IUPACethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1
InChIInChI=1S/C22H27N3O4/c1-4-13-25(14-5-2)21(27)19-15-16(11-12-23-19)20(26)24-18-10-8-7-9-17(18)22(28)29-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)
InChIKeyTZMMSLVFZCAHOD-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.77
Rot. Bonds9

About ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109090611) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109090611
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Nameethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1
InChIInChI=1S/C22H27N3O4/c1-4-13-25(14-5-2)21(27)19-15-16(11-12-23-19)20(26)24-18-10-8-7-9-17(18)22(28)29-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)
InChIKeyTZMMSLVFZCAHOD-UHFFFAOYSA-N
XLogP3.77
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090577
ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109079172
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
ethyl 2-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089636
ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165643
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109085537
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
2-N-(2-chlorophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (CID 109090611) is ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is CCCN(CCC)C(=O)c1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1.
What is the InChIKey of ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is TZMMSLVFZCAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-13-25(14-5-2)21(27)19-15-16(11-12-23-19)20(26)24-18-10-8-7-9-17(18)22(28)29-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26).
What are the key properties of ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 397.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109090611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).