1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride

C20H25ClN4O — CID 44529387

IUPAC1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1ccncc1)Nc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C20H24N4O.ClH/c25-20(22-17-6-10-21-11-7-17)23-18-5-4-15-8-12-24(19-2-1-3-19)13-9-16(15)14-18;/h4-7,10-11,14,19H,1-3,8-9,12-13H2,(H2,21,22,23,25);1H
InChIKeyPWYMKWLKSDEYNF-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.10
Rot. Bonds3

About 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride

1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride (PubChem CID 44529387) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
PubChem CID44529387
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1ccncc1)Nc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C20H24N4O.ClH/c25-20(22-17-6-10-21-11-7-17)23-18-5-4-15-8-12-24(19-2-1-3-19)13-9-16(15)14-18;/h4-7,10-11,14,19H,1-3,8-9,12-13H2,(H2,21,22,23,25);1H
InChIKeyPWYMKWLKSDEYNF-UHFFFAOYSA-N
XLogP4.10
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
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CID 69183178
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2,5-oxadiazole-3-carboxamide
CID 11738472
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 11234562
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)thiophene-3-carboxamide
CID 11472860
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-imidazol-1-ylpyridine-2-carboxamide
CID 44529425
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylpropan-2-ol
CID 58277876
2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide
CID 70320378
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide
CID 69180077
3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
CID 69182070
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,5-diphenylpyrazole-4-carboxamide;hydrochloride
CID 69182841
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride?
The IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride (CID 44529387) is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride is Cl.O=C(Nc1ccncc1)Nc1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride?
The InChIKey is PWYMKWLKSDEYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c25-20(22-17-6-10-21-11-7-17)23-18-5-4-15-8-12-24(19-2-1-3-19)13-9-16(15)14-18;/h4-7,10-11,14,19H,1-3,8-9,12-13H2,(H2,21,22,23,25);1H.
What are the key properties of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride?
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride is sourced from PubChem (CID 44529387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).