[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid

C18H16N4O3 — CID 135122320

IUPAC[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid
SMILESO=C(O)NC1CN(C(=O)c2cc3cc(-c4cccnc4)ccc3[nH]2)C1
InChIInChI=1S/C18H16N4O3/c23-17(22-9-14(10-22)20-18(24)25)16-7-13-6-11(3-4-15(13)21-16)12-2-1-5-19-8-12/h1-8,14,20-21H,9-10H2,(H,24,25)
InChIKeyHVFXGRZNSJWGOQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.32
Rot. Bonds3

About [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid

[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid (PubChem CID 135122320) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid
PubChem CID135122320
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid
SMILESO=C(O)NC1CN(C(=O)c2cc3cc(-c4cccnc4)ccc3[nH]2)C1
InChIInChI=1S/C18H16N4O3/c23-17(22-9-14(10-22)20-18(24)25)16-7-13-6-11(3-4-15(13)21-16)12-2-1-5-19-8-12/h1-8,14,20-21H,9-10H2,(H,24,25)
InChIKeyHVFXGRZNSJWGOQ-UHFFFAOYSA-N
XLogP2.32
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate
CID 135142586
N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715500
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone
CID 66554718
(5-methoxy-1H-indol-2-yl)-(2-pyridin-3-ylmorpholin-4-yl)methanone
CID 91797517
[3-(4-imino-6,7-dimethoxy-2-methylsulfanylquinazolin-3-yl)azetidin-1-yl]-(6-pyridin-3-yl-1H-indol-2-yl)methanone
CID 135142636
5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 167843616
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 124971061
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895156
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623

Frequently Asked Questions

What is the IUPAC name of [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid?
The IUPAC name of [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid (CID 135122320) is [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid?
The canonical SMILES for [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid is O=C(O)NC1CN(C(=O)c2cc3cc(-c4cccnc4)ccc3[nH]2)C1.
What is the InChIKey of [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid?
The InChIKey is HVFXGRZNSJWGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-17(22-9-14(10-22)20-18(24)25)16-7-13-6-11(3-4-15(13)21-16)12-2-1-5-19-8-12/h1-8,14,20-21H,9-10H2,(H,24,25).
What are the key properties of [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid?
[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid has a molecular weight of 336.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid is sourced from PubChem (CID 135122320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).