N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide

C16H18N4O2 — CID 57440291

IUPACN-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc3c(c2)CCNCC3)cn1
InChIInChI=1S/C16H18N4O2/c1-17-16(21)14-9-20-15(10-19-14)22-13-3-2-11-4-6-18-7-5-12(11)8-13/h2-3,8-10,18H,4-7H2,1H3,(H,17,21)
InChIKeyDNBNXLMAPWSFRC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.32
Rot. Bonds3

About N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide

N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide (PubChem CID 57440291) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide
PubChem CID57440291
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc3c(c2)CCNCC3)cn1
InChIInChI=1S/C16H18N4O2/c1-17-16(21)14-9-20-15(10-19-14)22-13-3-2-11-4-6-18-7-5-12(11)8-13/h2-3,8-10,18H,4-7H2,1H3,(H,17,21)
InChIKeyDNBNXLMAPWSFRC-UHFFFAOYSA-N
XLogP1.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide (CID 57440291) is N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide is CNC(=O)c1cnc(Oc2ccc3c(c2)CCNCC3)cn1.
What is the InChIKey of N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide?
The InChIKey is DNBNXLMAPWSFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-17-16(21)14-9-20-15(10-19-14)22-13-3-2-11-4-6-18-7-5-12(11)8-13/h2-3,8-10,18H,4-7H2,1H3,(H,17,21).
What are the key properties of N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide?
N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)pyrazine-2-carboxamide is sourced from PubChem (CID 57440291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).