methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate

C21H19N3O2 — CID 67395037

IUPACmethyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate
SMILESCOC(=O)c1cc(C2CC2)ccc1Nc1ccc(-c2cccnc2)nc1
InChIInChI=1S/C21H19N3O2/c1-26-21(25)18-11-15(14-4-5-14)6-8-20(18)24-17-7-9-19(23-13-17)16-3-2-10-22-12-16/h2-3,6-14,24H,4-5H2,1H3
InChIKeyZFAWWTJPBQPVOB-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.55
Rot. Bonds5

About methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate

methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate (PubChem CID 67395037) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate
PubChem CID67395037
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Namemethyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate
SMILESCOC(=O)c1cc(C2CC2)ccc1Nc1ccc(-c2cccnc2)nc1
InChIInChI=1S/C21H19N3O2/c1-26-21(25)18-11-15(14-4-5-14)6-8-20(18)24-17-7-9-19(23-13-17)16-3-2-10-22-12-16/h2-3,6-14,24H,4-5H2,1H3
InChIKeyZFAWWTJPBQPVOB-UHFFFAOYSA-N
XLogP4.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate with MolForge

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Related Compounds

methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate
CID 143761347
methyl 5-cyclopropyl-2-[[2-(2,3-difluorophenyl)pyrimidin-5-yl]amino]benzoate
CID 56967049
methyl 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]amino]benzoate
CID 56967047
methyl 2-(4-anilino-3-nitroanilino)-5-cyclopropylbenzoate
CID 90152583
2-[(6-bromo-3-pyridinyl)amino]-5-cyclopropylbenzoic acid
CID 87383887
2-[[2-(2-chlorophenyl)pyrimidin-5-yl]amino]-5-methylbenzoic acid;methyl 2-[[2-(2-chlorophenyl)pyrimidin-5-yl]amino]-5-cyclopropylbenzoate
CID 158373022
2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
CID 159286301
ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate
CID 57479002
methyl 5-cyclopropyl-2-[[2-[[2-[3-methoxycarbonyl-4-[(1-pyridin-3-ylindol-5-yl)amino]phenyl]cyclopropyl]methyl]-1H-indol-5-yl]amino]benzoate
CID 138501295
methyl 5-cyclopropyl-2-[(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)amino]benzoate
CID 90152586
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
CID 90153154
4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline
CID 87419359

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate?
The IUPAC name of methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate (CID 67395037) is methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate.
What is the SMILES notation for methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate?
The canonical SMILES for methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate is COC(=O)c1cc(C2CC2)ccc1Nc1ccc(-c2cccnc2)nc1.
What is the InChIKey of methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate?
The InChIKey is ZFAWWTJPBQPVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-21(25)18-11-15(14-4-5-14)6-8-20(18)24-17-7-9-19(23-13-17)16-3-2-10-22-12-16/h2-3,6-14,24H,4-5H2,1H3.
What are the key properties of methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate?
methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate is sourced from PubChem (CID 67395037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).