6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide

C15H16N4O2 — CID 144569855

IUPAC6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCNc2cccnc21)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H16N4O2/c20-13-6-5-10(9-18-13)15(21)19-12-4-2-7-16-11-3-1-8-17-14(11)12/h1,3,5-6,8-9,12,16H,2,4,7H2,(H,18,20)(H,19,21)
InChIKeyQEENUBBXXCQUJA-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.45
Rot. Bonds2

About 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide

6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide (PubChem CID 144569855) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide
PubChem CID144569855
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCNc2cccnc21)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H16N4O2/c20-13-6-5-10(9-18-13)15(21)19-12-4-2-7-16-11-3-1-8-17-14(11)12/h1,3,5-6,8-9,12,16H,2,4,7H2,(H,18,20)(H,19,21)
InChIKeyQEENUBBXXCQUJA-UHFFFAOYSA-N
XLogP1.45
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide (CID 144569855) is 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide is O=C(NC1CCCNc2cccnc21)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide?
The InChIKey is QEENUBBXXCQUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-13-6-5-10(9-18-13)15(21)19-12-4-2-7-16-11-3-1-8-17-14(11)12/h1,3,5-6,8-9,12,16H,2,4,7H2,(H,18,20)(H,19,21).
What are the key properties of 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide?
6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-9-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 144569855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).