2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one

C17H18N4O — CID 141213049

IUPAC2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccc4c(n3)CCNCC4)ccc21
InChIInChI=1S/C17H18N4O/c22-17-12-2-4-16(21-14(12)7-10-19-17)15-3-1-11-5-8-18-9-6-13(11)20-15/h1-4,18H,5-10H2,(H,19,22)
InChIKeyIUUMHPVXUWMCQN-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.12
Rot. Bonds1

About 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 141213049) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID141213049
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccc4c(n3)CCNCC4)ccc21
InChIInChI=1S/C17H18N4O/c22-17-12-2-4-16(21-14(12)7-10-19-17)15-3-1-11-5-8-18-9-6-13(11)20-15/h1-4,18H,5-10H2,(H,19,22)
InChIKeyIUUMHPVXUWMCQN-UHFFFAOYSA-N
XLogP1.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 141213049) is 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccc4c(n3)CCNCC4)ccc21.
What is the InChIKey of 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is IUUMHPVXUWMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17-12-2-4-16(21-14(12)7-10-19-17)15-3-1-11-5-8-18-9-6-13(11)20-15/h1-4,18H,5-10H2,(H,19,22).
What are the key properties of 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 294.36 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 141213049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).