N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C16H14ClN3O2 — CID 108784501

IUPACN-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)Nc3cc(Cl)ccn3)ccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-12-6-7-18-14(9-12)20-16(22)11-4-5-13-10(8-11)2-1-3-15(21)19-13/h4-9H,1-3H2,(H,19,21)(H,18,20,22)
InChIKeyVSSHREFANXFGJC-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.26
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108784501) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108784501
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)Nc3cc(Cl)ccn3)ccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-12-6-7-18-14(9-12)20-16(22)11-4-5-13-10(8-11)2-1-3-15(21)19-13/h4-9H,1-3H2,(H,19,21)(H,18,20,22)
InChIKeyVSSHREFANXFGJC-UHFFFAOYSA-N
XLogP3.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
2-oxo-N-(5-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78878186
N-(3-hydroxypropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797707
N-(1-methylpyrazol-3-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18132198
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108784501) is N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is O=C1CCCc2cc(C(=O)Nc3cc(Cl)ccn3)ccc2N1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is VSSHREFANXFGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-12-6-7-18-14(9-12)20-16(22)11-4-5-13-10(8-11)2-1-3-15(21)19-13/h4-9H,1-3H2,(H,19,21)(H,18,20,22).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108784501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).