N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C17H19N3O2 — CID 69220949

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCCc3ccccc32)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-19-12-14(9-10-16(19)21)18-17(22)20-11-5-4-7-13-6-2-3-8-15(13)20/h2-3,6,8-10,12H,4-5,7,11H2,1H3,(H,18,22)
InChIKeyYMVJJSYJJGZZAQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.76
Rot. Bonds1

About N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69220949) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69220949
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCCc3ccccc32)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-19-12-14(9-10-16(19)21)18-17(22)20-11-5-4-7-13-6-2-3-8-15(13)20/h2-3,6,8-10,12H,4-5,7,11H2,1H3,(H,18,22)
InChIKeyYMVJJSYJJGZZAQ-UHFFFAOYSA-N
XLogP2.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 138054103
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943972
N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20944006
ethyl 2-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)phenoxy]acetate
CID 69222609
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
N-(4-hydroxy-3-nitrophenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222909

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69220949) is N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is Cn1cc(NC(=O)N2CCCCc3ccccc32)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is YMVJJSYJJGZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-12-14(9-10-16(19)21)18-17(22)20-11-5-4-7-13-6-2-3-8-15(13)20/h2-3,6,8-10,12H,4-5,7,11H2,1H3,(H,18,22).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69220949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).