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

C21H21N3O3 — CID 172810073

IUPACethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cn(Cc3ccccn3)c3ccccc23)CC1
InChIInChI=1S/C21H21N3O3/c1-2-27-20(26)21(10-11-21)23-19(25)17-14-24(13-15-7-5-6-12-22-15)18-9-4-3-8-16(17)18/h3-9,12,14H,2,10-11,13H2,1H3,(H,23,25)
InChIKeySAZARCMKTSOJCS-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.91
Rot. Bonds6

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

ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate (PubChem CID 172810073) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate
PubChem CID172810073
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Nameethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cn(Cc3ccccn3)c3ccccc23)CC1
InChIInChI=1S/C21H21N3O3/c1-2-27-20(26)21(10-11-21)23-19(25)17-14-24(13-15-7-5-6-12-22-15)18-9-4-3-8-16(17)18/h3-9,12,14H,2,10-11,13H2,1H3,(H,23,25)
InChIKeySAZARCMKTSOJCS-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pyrrole-2-carboxylic acid
CID 172801944
2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
CID 172686317
5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
CID 175130499
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone
CID 142695128
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
ethyl 9-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
CID 66405858
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate (CID 172810073) is ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate is CCOC(=O)C1(NC(=O)c2cn(Cc3ccccn3)c3ccccc23)CC1.
What is the InChIKey of ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate?
The InChIKey is SAZARCMKTSOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-27-20(26)21(10-11-21)23-19(25)17-14-24(13-15-7-5-6-12-22-15)18-9-4-3-8-16(17)18/h3-9,12,14H,2,10-11,13H2,1H3,(H,23,25).
What are the key properties of ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate?
ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 172810073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).