ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate

C20H18N4O3 — CID 71061208

IUPACethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
SMILESCCOC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)cc1
InChIInChI=1S/C20H18N4O3/c1-2-27-20(26)14-5-3-13(4-6-14)15-11-17(18(21)23-12-15)19(25)24-16-7-9-22-10-8-16/h3-12H,2H2,1H3,(H2,21,23)(H,22,24,25)
InChIKeyNGQDJMZWCKAKRN-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.15
Rot. Bonds5

About ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate

ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate (PubChem CID 71061208) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
PubChem CID71061208
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Nameethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
SMILESCCOC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)cc1
InChIInChI=1S/C20H18N4O3/c1-2-27-20(26)14-5-3-13(4-6-14)15-11-17(18(21)23-12-15)19(25)24-16-7-9-22-10-8-16/h3-12H,2H2,1H3,(H2,21,23)(H,22,24,25)
InChIKeyNGQDJMZWCKAKRN-UHFFFAOYSA-N
XLogP3.15
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061213
[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
CID 174791748
tert-butyl N-[4-[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl]-4-oxobutyl]carbamate
CID 159902780
N-(4-acetamidophenyl)-5-(4-acetylphenyl)-2-aminopyridine-3-carboxamide
CID 164524580
2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 123201906
2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061217
methyl 4-[[2-amino-5-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonyl]amino]benzoate
CID 155777473
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
ethyl 4-[(pyridin-4-ylcarbamoylamino)methyl]benzoate
CID 108892768
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate?
The IUPAC name of ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate (CID 71061208) is ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate.
What is the SMILES notation for ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate?
The canonical SMILES for ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate is CCOC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)cc1.
What is the InChIKey of ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate?
The InChIKey is NGQDJMZWCKAKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-2-27-20(26)14-5-3-13(4-6-14)15-11-17(18(21)23-12-15)19(25)24-16-7-9-22-10-8-16/h3-12H,2H2,1H3,(H2,21,23)(H,22,24,25).
What are the key properties of ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate?
ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate has a molecular weight of 362.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate is sourced from PubChem (CID 71061208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).