ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

C19H21N3O4 — CID 109093781

IUPACethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NC(C)C)n2)cc1
InChIInChI=1S/C19H21N3O4/c1-4-26-19(25)13-8-10-14(11-9-13)21-18(24)16-7-5-6-15(22-16)17(23)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySFVDCQBFCVSHES-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.65
Rot. Bonds6

About ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109093781) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109093781
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nameethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NC(C)C)n2)cc1
InChIInChI=1S/C19H21N3O4/c1-4-26-19(25)13-8-10-14(11-9-13)21-18(24)16-7-5-6-15(22-16)17(23)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySFVDCQBFCVSHES-UHFFFAOYSA-N
XLogP2.65
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093713
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271524
ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066459
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (CID 109093781) is ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NC(C)C)n2)cc1.
What is the InChIKey of ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is SFVDCQBFCVSHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-26-19(25)13-8-10-14(11-9-13)21-18(24)16-7-5-6-15(22-16)17(23)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109093781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).