ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate

C22H23N3O3 — CID 42791890

IUPACethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(Cc1cccnc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(27)18-10-17(18)14-25(13-15-6-5-9-23-12-15)21(26)20-11-16-7-3-4-8-19(16)24-20/h3-9,11-12,17-18,24H,2,10,13-14H2,1H3
InChIKeyJCTPGBBPEWOZDU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.40
Rot. Bonds7

About ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate

ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 42791890) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID42791890
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(Cc1cccnc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(27)18-10-17(18)14-25(13-15-6-5-9-23-12-15)21(26)20-11-16-7-3-4-8-19(16)24-20/h3-9,11-12,17-18,24H,2,10,13-14H2,1H3
InChIKeyJCTPGBBPEWOZDU-UHFFFAOYSA-N
XLogP3.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 71995258
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42796795
2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4888416
ethyl 2-[[3-(1H-benzimidazol-2-yl)propanoyl-(1,3-benzodioxol-5-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
CID 42794153
2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 4896654
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
CID 11921666
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 166476038
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 51190000
ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
CID 42796826
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate (CID 42791890) is ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(Cc1cccnc1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is JCTPGBBPEWOZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-22(27)18-10-17(18)14-25(13-15-6-5-9-23-12-15)21(26)20-11-16-7-3-4-8-19(16)24-20/h3-9,11-12,17-18,24H,2,10,13-14H2,1H3.
What are the key properties of ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 42791890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).