N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide

C21H22N4O2 — CID 90511783

IUPACN-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-24(2)16-9-7-15(8-10-16)23-20(26)14-12-25(13-14)21(27)18-11-22-19-6-4-3-5-17(18)19/h3-11,14,22H,12-13H2,1-2H3,(H,23,26)
InChIKeyGPWNMKMRSMPPRO-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.94
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide

N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511783) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511783
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-24(2)16-9-7-15(8-10-16)23-20(26)14-12-25(13-14)21(27)18-11-22-19-6-4-3-5-17(18)19/h3-11,14,22H,12-13H2,1-2H3,(H,23,26)
InChIKeyGPWNMKMRSMPPRO-UHFFFAOYSA-N
XLogP2.94
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511828
N-(4-chloro-3-nitrophenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511872
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511952
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1-(1H-indole-3-carbonyl)-N-(2-oxothiolan-3-yl)azetidine-3-carboxamide
CID 90511905
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide
CID 90511650
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 4167609

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide (CID 90511783) is N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide is CN(C)c1ccc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is GPWNMKMRSMPPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(2)16-9-7-15(8-10-16)23-20(26)14-12-25(13-14)21(27)18-11-22-19-6-4-3-5-17(18)19/h3-11,14,22H,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).