N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide

C20H21N5O2 — CID 166313243

IUPACN-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)c1cccc(CN2CC(C(=O)Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H21N5O2/c1-21-19(26)14-4-2-3-13(7-14)10-25-11-16(12-25)20(27)23-17-5-6-18-15(8-17)9-22-24-18/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyVLVDBRKPXVLIFB-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.99
Rot. Bonds5

About N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide

N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide (PubChem CID 166313243) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide
PubChem CID166313243
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)c1cccc(CN2CC(C(=O)Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H21N5O2/c1-21-19(26)14-4-2-3-13(7-14)10-25-11-16(12-25)20(27)23-17-5-6-18-15(8-17)9-22-24-18/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyVLVDBRKPXVLIFB-UHFFFAOYSA-N
XLogP1.99
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[3-(1H-indazol-5-ylcarbamoyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 95224007
N-methyl-1H-indazole-5-carboxamide
CID 22934041
1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073630
1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 117073646
1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073640
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117072886
1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117073639
(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 97079601
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide (CID 166313243) is N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide is CNC(=O)c1cccc(CN2CC(C(=O)Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is VLVDBRKPXVLIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-21-19(26)14-4-2-3-13(7-14)10-25-11-16(12-25)20(27)23-17-5-6-18-15(8-17)9-22-24-18/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,24)(H,23,27).
What are the key properties of N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide?
N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 166313243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).