ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate

C18H19N3O3 — CID 112532221

IUPACethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)20-12-15-11-14(7-9-19-15)17(22)21-10-8-13-5-3-4-6-16(13)21/h3-7,9,11H,2,8,10,12H2,1H3,(H,20,23)
InChIKeyCYZFTGJXSFLHPP-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.53
Rot. Bonds4

About ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate

ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112532221) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate
PubChem CID112532221
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)20-12-15-11-14(7-9-19-15)17(22)21-10-8-13-5-3-4-6-16(13)21/h3-7,9,11H,2,8,10,12H2,1H3,(H,20,23)
InChIKeyCYZFTGJXSFLHPP-UHFFFAOYSA-N
XLogP2.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532223
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525138
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439
4-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109086940
4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
4-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109091330
4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084059

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate (CID 112532221) is ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)N2CCc3ccccc32)ccn1.
What is the InChIKey of ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is CYZFTGJXSFLHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-18(23)20-12-15-11-14(7-9-19-15)17(22)21-10-8-13-5-3-4-6-16(13)21/h3-7,9,11H,2,8,10,12H2,1H3,(H,20,23).
What are the key properties of ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112532221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).