1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea

C18H20N4O3 — CID 110303998

IUPAC1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
SMILESCOCCNC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C18H20N4O3/c1-25-10-8-20-18(24)21-15-5-4-13-6-9-22(16(13)11-15)17(23)14-3-2-7-19-12-14/h2-5,7,11-12H,6,8-10H2,1H3,(H2,20,21,24)
InChIKeyYQOUKVBYSFWUSB-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea

1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea (PubChem CID 110303998) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
PubChem CID110303998
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
SMILESCOCCNC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C18H20N4O3/c1-25-10-8-20-18(24)21-15-5-4-13-6-9-22(16(13)11-15)17(23)14-3-2-7-19-12-14/h2-5,7,11-12H,6,8-10H2,1H3,(H2,20,21,24)
InChIKeyYQOUKVBYSFWUSB-UHFFFAOYSA-N
XLogP2.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
CID 46384438
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110623609
ethyl 2-oxo-2-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]amino]acetate
CID 112506255
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
2-cyclopropyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623614
(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide
CID 110303995
(2S)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]oxolane-2-carboxamide
CID 42344151
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
6-oxo-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1H-pyridine-3-carboxamide
CID 110623360
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea (CID 110303998) is 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea is COCCNC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is YQOUKVBYSFWUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-10-8-20-18(24)21-15-5-4-13-6-9-22(16(13)11-15)17(23)14-3-2-7-19-12-14/h2-5,7,11-12H,6,8-10H2,1H3,(H2,20,21,24).
What are the key properties of 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 340.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 110303998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).