3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea

C18H20N4O2 — CID 112532223

IUPAC3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C18H20N4O2/c1-21(2)18(24)20-12-15-11-14(7-9-19-15)17(23)22-10-8-13-5-3-4-6-16(13)22/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,24)
InChIKeyUCHXSCQQPWMNBB-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.06
Rot. Bonds3

About 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea

3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea (PubChem CID 112532223) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
PubChem CID112532223
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C18H20N4O2/c1-21(2)18(24)20-12-15-11-14(7-9-19-15)17(23)22-10-8-13-5-3-4-6-16(13)22/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,24)
InChIKeyUCHXSCQQPWMNBB-UHFFFAOYSA-N
XLogP2.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea 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

ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112532221
4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084059
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945
4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
4-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109086940
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109091571
2-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109083923
3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532014
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea (CID 112532223) is 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea is CN(C)C(=O)NCc1cc(C(=O)N2CCc3ccccc32)ccn1.
What is the InChIKey of 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
The InChIKey is UCHXSCQQPWMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(2)18(24)20-12-15-11-14(7-9-19-15)17(23)22-10-8-13-5-3-4-6-16(13)22/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,24).
What are the key properties of 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea has a molecular weight of 324.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 112532223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).