N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide

C24H26N4O — CID 11234562

IUPACN-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide
SMILESCc1nc2ccncc2cc1C(=O)Nc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C24H26N4O/c1-16-22(14-19-15-25-10-7-23(19)26-16)24(29)27-20-6-5-17-8-11-28(21-3-2-4-21)12-9-18(17)13-20/h5-7,10,13-15,21H,2-4,8-9,11-12H2,1H3,(H,27,29)
InChIKeyDDRXDOAFAFTRBV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.14
Rot. Bonds3

About N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide

N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide (PubChem CID 11234562) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide
PubChem CID11234562
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide
SMILESCc1nc2ccncc2cc1C(=O)Nc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C24H26N4O/c1-16-22(14-19-15-25-10-7-23(19)26-16)24(29)27-20-6-5-17-8-11-28(21-3-2-4-21)12-9-18(17)13-20/h5-7,10,13-15,21H,2-4,8-9,11-12H2,1H3,(H,27,29)
InChIKeyDDRXDOAFAFTRBV-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
CID 44529387
N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110859285
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-imidazol-1-ylpyridine-2-carboxamide
CID 44529425
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 69184943
N-(3,4-dichlorophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110863992
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)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 11258531
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide
CID 69180077
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,3,5-trimethylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69180743
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)thiophene-3-carboxamide
CID 11472860

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide (CID 11234562) is N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide is Cc1nc2ccncc2cc1C(=O)Nc1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide?
The InChIKey is DDRXDOAFAFTRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-22(14-19-15-25-10-7-23(19)26-16)24(29)27-20-6-5-17-8-11-28(21-3-2-4-21)12-9-18(17)13-20/h5-7,10,13-15,21H,2-4,8-9,11-12H2,1H3,(H,27,29).
What are the key properties of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide?
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 11234562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).