N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal

C24H35ClN4O3 — CID 156641314

IUPACN-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal
SMILESCN1CCC1C(=O)NCc1ccc2[nH]cc(Cl)c2c1.O=CCCCCCN1CCOCC1
InChIInChI=1S/C14H16ClN3O.C10H19NO2/c1-18-5-4-13(18)14(19)17-7-9-2-3-12-10(6-9)11(15)8-16-12;12-8-4-2-1-3-5-11-6-9-13-10-7-11/h2-3,6,8,13,16H,4-5,7H2,1H3,(H,17,19);8H,1-7,9-10H2
InChIKeyBSYIZVQZCKIYQX-UHFFFAOYSA-N
MW463.02 g/mol
LogP3.22
Rot. Bonds9

About N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal

N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal (PubChem CID 156641314) has the molecular formula C24H35ClN4O3 and a molecular weight of 463.02 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal
PubChem CID156641314
Molecular FormulaC24H35ClN4O3
Molecular Weight463.02 g/mol
Exact Mass462.24
IUPAC NameN-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal
SMILESCN1CCC1C(=O)NCc1ccc2[nH]cc(Cl)c2c1.O=CCCCCCN1CCOCC1
InChIInChI=1S/C14H16ClN3O.C10H19NO2/c1-18-5-4-13(18)14(19)17-7-9-2-3-12-10(6-9)11(15)8-16-12;12-8-4-2-1-3-5-11-6-9-13-10-7-11/h2-3,6,8,13,16H,4-5,7H2,1H3,(H,17,19);8H,1-7,9-10H2
InChIKeyBSYIZVQZCKIYQX-UHFFFAOYSA-N
XLogP3.22
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2R)-2-amino-6-morpholin-4-ylhexanoyl]-N-[(3-chloro-1H-inden-5-yl)methyl]azetidine-2-carboxamide;methane
CID 167607944
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 142006200
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 18470845
N-[(3-formyl-1H-indol-5-yl)methyl]acetamide
CID 22139326
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal?
The IUPAC name of N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal (CID 156641314) is N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal.
What is the SMILES notation for N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal?
The canonical SMILES for N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal is CN1CCC1C(=O)NCc1ccc2[nH]cc(Cl)c2c1.O=CCCCCCN1CCOCC1.
What is the InChIKey of N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal?
The InChIKey is BSYIZVQZCKIYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O.C10H19NO2/c1-18-5-4-13(18)14(19)17-7-9-2-3-12-10(6-9)11(15)8-16-12;12-8-4-2-1-3-5-11-6-9-13-10-7-11/h2-3,6,8,13,16H,4-5,7H2,1H3,(H,17,19);8H,1-7,9-10H2.
What are the key properties of N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal?
N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal has a molecular weight of 463.02 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal is sourced from PubChem (CID 156641314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).