2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide

C22H21N3O2 — CID 156720389

IUPAC2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide
SMILESCC1=Cc2ccc(C(=O)Nc3ccc4c(c3)CCCC4=O)cc2N=C(N)C1
InChIInChI=1S/C22H21N3O2/c1-13-9-15-5-6-16(12-19(15)25-21(23)10-13)22(27)24-17-7-8-18-14(11-17)3-2-4-20(18)26/h5-9,11-12H,2-4,10H2,1H3,(H2,23,25)(H,24,27)
InChIKeyLJYCLIWPFJXBKU-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.25
Rot. Bonds2

About 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide

2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide (PubChem CID 156720389) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide
PubChem CID156720389
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide
SMILESCC1=Cc2ccc(C(=O)Nc3ccc4c(c3)CCCC4=O)cc2N=C(N)C1
InChIInChI=1S/C22H21N3O2/c1-13-9-15-5-6-16(12-19(15)25-21(23)10-13)22(27)24-17-7-8-18-14(11-17)3-2-4-20(18)26/h5-9,11-12H,2-4,10H2,1H3,(H2,23,25)(H,24,27)
InChIKeyLJYCLIWPFJXBKU-UHFFFAOYSA-N
XLogP4.25
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-1-benzazepine-4,8-dicarboxamide;2,2,2-trifluoroacetaldehyde
CID 160867583
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
CID 71449963
9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
CID 166227055
2-amino-8-N-(3-ethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 122510276
2-amino-8-N-phenyl-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 122510230
N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 71449964
5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide
CID 154453800
2-amino-4-N-ethyl-4-N-propyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
CID 167375470
6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 83819619
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide
CID 806714

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide (CID 156720389) is 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide is CC1=Cc2ccc(C(=O)Nc3ccc4c(c3)CCCC4=O)cc2N=C(N)C1.
What is the InChIKey of 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide?
The InChIKey is LJYCLIWPFJXBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-9-15-5-6-16(12-19(15)25-21(23)10-13)22(27)24-17-7-8-18-14(11-17)3-2-4-20(18)26/h5-9,11-12H,2-4,10H2,1H3,(H2,23,25)(H,24,27).
What are the key properties of 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide?
2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide is sourced from PubChem (CID 156720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).