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

C19H22N4O2 — CID 110623609

IUPAC1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
SMILESCCC(C)NC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C19H22N4O2/c1-3-13(2)21-19(25)22-16-7-6-14-8-10-23(17(14)11-16)18(24)15-5-4-9-20-12-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H2,21,22,25)
InChIKeyIBZHZXYCVSNKMV-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.20
Rot. Bonds4

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

1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea (PubChem CID 110623609) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
PubChem CID110623609
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
SMILESCCC(C)NC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C19H22N4O2/c1-3-13(2)21-19(25)22-16-7-6-14-8-10-23(17(14)11-16)18(24)15-5-4-9-20-12-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H2,21,22,25)
InChIKeyIBZHZXYCVSNKMV-UHFFFAOYSA-N
XLogP3.20
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-2-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]amino]acetate
CID 112506255
1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110303998
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
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
(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
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386113
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea (CID 110623609) is 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea is CCC(C)NC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2.
What is the InChIKey of 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is IBZHZXYCVSNKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-13(2)21-19(25)22-16-7-6-14-8-10-23(17(14)11-16)18(24)15-5-4-9-20-12-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea?
1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 338.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 110623609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).