ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate

C22H18N4O3 — CID 109222691

IUPACethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C22H18N4O3/c1-2-29-22(28)17-8-4-6-10-19(17)25-16-11-12-24-20(13-16)21(27)26-18-9-5-3-7-15(18)14-23/h3-13H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyBEEYUCQGZJZURF-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.13
Rot. Bonds6

About ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate

ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109222691) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109222691
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Nameethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C22H18N4O3/c1-2-29-22(28)17-8-4-6-10-19(17)25-16-11-12-24-20(13-16)21(27)26-18-9-5-3-7-15(18)14-23/h3-13H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyBEEYUCQGZJZURF-UHFFFAOYSA-N
XLogP4.13
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220888
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109219823
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109221984
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109222691) is ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is BEEYUCQGZJZURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-2-29-22(28)17-8-4-6-10-19(17)25-16-11-12-24-20(13-16)21(27)26-18-9-5-3-7-15(18)14-23/h3-13H,2H2,1H3,(H,24,25)(H,26,27).
What are the key properties of ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 386.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109222691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).