3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide

C17H19BrN4O2 — CID 163354217

IUPAC3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
SMILESO=C(NC1CCOCC1)N1CCc2nc3ncc(Br)cc3cc2C1
InChIInChI=1S/C17H19BrN4O2/c18-13-8-11-7-12-10-22(4-1-15(12)21-16(11)19-9-13)17(23)20-14-2-5-24-6-3-14/h7-9,14H,1-6,10H2,(H,20,23)
InChIKeyJCKOHCHUSXAKJR-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.64
Rot. Bonds1

About 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide

3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide (PubChem CID 163354217) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
PubChem CID163354217
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
SMILESO=C(NC1CCOCC1)N1CCc2nc3ncc(Br)cc3cc2C1
InChIInChI=1S/C17H19BrN4O2/c18-13-8-11-7-12-10-22(4-1-15(12)21-16(11)19-9-13)17(23)20-14-2-5-24-6-3-14/h7-9,14H,1-6,10H2,(H,20,23)
InChIKeyJCKOHCHUSXAKJR-UHFFFAOYSA-N
XLogP2.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
CID 163351889
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone
CID 163354090
5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one
CID 163356528
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 163354303
N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110607356
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)azetidine-1-carboxamide
CID 126901204
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 126946761
N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
N-(4-fluorophenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163350838
3-chloro-N-(3-methoxyphenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 24732789
N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 163355183

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide?
The IUPAC name of 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide (CID 163354217) is 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide.
What is the SMILES notation for 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide?
The canonical SMILES for 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide is O=C(NC1CCOCC1)N1CCc2nc3ncc(Br)cc3cc2C1.
What is the InChIKey of 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide?
The InChIKey is JCKOHCHUSXAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c18-13-8-11-7-12-10-22(4-1-15(12)21-16(11)19-9-13)17(23)20-14-2-5-24-6-3-14/h7-9,14H,1-6,10H2,(H,20,23).
What are the key properties of 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide?
3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide is sourced from PubChem (CID 163354217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).