N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide

C25H22ClN3O2 — CID 22903466

IUPACN-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide
SMILESC=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)nc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H22ClN3O2/c1-16-6-3-4-8-20(16)24(30)28-23-12-9-18(15-27-23)25(31)29-13-5-7-17(2)21-14-19(26)10-11-22(21)29/h3-4,6,8-12,14-15H,2,5,7,13H2,1H3,(H,27,28,30)
InChIKeyDERMGFUQGCMYPP-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.75
Rot. Bonds3

About N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide

N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 22903466) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide
PubChem CID22903466
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide
SMILESC=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)nc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H22ClN3O2/c1-16-6-3-4-8-20(16)24(30)28-23-12-9-18(15-27-23)25(31)29-13-5-7-17(2)21-14-19(26)10-11-22(21)29/h3-4,6,8-12,14-15H,2,5,7,13H2,1H3,(H,27,28,30)
InChIKeyDERMGFUQGCMYPP-UHFFFAOYSA-N
XLogP5.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide with MolForge

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Related Compounds

N-[5-[7-chloro-5-(2-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-2-methylbenzamide
CID 18982821
N-[5-[5-(2-acetamidoethyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-2-methylbenzamide
CID 22903470
N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 19607836
2-[[7-chloro-1-[6-[(2-methylbenzoyl)amino]pyridine-3-carbonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl methanesulfonate
CID 22903488
N-[5-[5-(2-acetamidoethoxy)-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-2-methylbenzamide
CID 22903516
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
N-[5-(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)benzamide
CID 170250298
N-[5-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)thiophen-2-yl]-2-methylbenzamide
CID 22903493
2-[2-[[5-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-pyridinyl]carbamoyl]phenoxy]acetic acid
CID 22903534
N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 176507654
methyl 2-[7-chloro-1-[6-[(2-chlorobenzoyl)amino]pyridine-3-carbonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate
CID 22903502
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide (CID 22903466) is N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide is C=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)nc2)c2ccc(Cl)cc21.
What is the InChIKey of N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is DERMGFUQGCMYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16-6-3-4-8-20(16)24(30)28-23-12-9-18(15-27-23)25(31)29-13-5-7-17(2)21-14-19(26)10-11-22(21)29/h3-4,6,8-12,14-15H,2,5,7,13H2,1H3,(H,27,28,30).
What are the key properties of N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide?
N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 431.92 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 22903466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).