N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide

C16H15ClN4O3 — CID 91632336

IUPACN-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1cnccn1
InChIInChI=1S/C16H15ClN4O3/c17-12-1-2-14-11(7-12)9-21(15(22)10-24-14)6-5-20-16(23)13-8-18-3-4-19-13/h1-4,7-8H,5-6,9-10H2,(H,20,23)
InChIKeyPAZHWCRTFSHJEY-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.28
Rot. Bonds4

About N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide

N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 91632336) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID91632336
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1cnccn1
InChIInChI=1S/C16H15ClN4O3/c17-12-1-2-14-11(7-12)9-21(15(22)10-24-14)6-5-20-16(23)13-8-18-3-4-19-13/h1-4,7-8H,5-6,9-10H2,(H,20,23)
InChIKeyPAZHWCRTFSHJEY-UHFFFAOYSA-N
XLogP1.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamido)methyl)phenoxy)-N-cyclopropylacetamide
CID 53317095
2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-yl)acetamide
CID 3146340
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2352910
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
Pyrazine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
CID 6498567
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
Pyrazine-2-carboxylic acid {2-[2-(4-chloro-phenoxy)-acetylamino]-ethyl}-amide
CID 6498571
2-(4-chloro-2-methylphenoxy)-N'-(2-pyrazinylcarbonyl)acetohydrazide
CID 751040
N,N-Dimethyl-4-(pyrazine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
CID 124073092

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide (CID 91632336) is N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1cnccn1.
What is the InChIKey of N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is PAZHWCRTFSHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c17-12-1-2-14-11(7-12)9-21(15(22)10-24-14)6-5-20-16(23)13-8-18-3-4-19-13/h1-4,7-8H,5-6,9-10H2,(H,20,23).
What are the key properties of N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91632336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).