(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone

C16H16BrN3O — CID 163354090

IUPAC(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCc2nc3ncc(Br)cc3cc2C1
InChIInChI=1S/C16H16BrN3O/c1-9-4-13(9)16(21)20-3-2-14-11(8-20)5-10-6-12(17)7-18-15(10)19-14/h5-7,9,13H,2-4,8H2,1H3
InChIKeyNUDBNKPEWMOAHF-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.93
Rot. Bonds1

About (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone

(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone (PubChem CID 163354090) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone
PubChem CID163354090
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCc2nc3ncc(Br)cc3cc2C1
InChIInChI=1S/C16H16BrN3O/c1-9-4-13(9)16(21)20-3-2-14-11(8-20)5-10-6-12(17)7-18-15(10)19-14/h5-7,9,13H,2-4,8H2,1H3
InChIKeyNUDBNKPEWMOAHF-UHFFFAOYSA-N
XLogP2.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
CID 163351889
5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one
CID 163356528
3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163354217
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 163354303
(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
CID 163357367
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
(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
CID 163357468
5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
CID 163351885
(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 24731410
(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 24731407
2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone
CID 163357397
2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 159477768

Frequently Asked Questions

What is the IUPAC name of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone (CID 163354090) is (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCc2nc3ncc(Br)cc3cc2C1.
What is the InChIKey of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone?
The InChIKey is NUDBNKPEWMOAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-9-4-13(9)16(21)20-3-2-14-11(8-20)5-10-6-12(17)7-18-15(10)19-14/h5-7,9,13H,2-4,8H2,1H3.
What are the key properties of (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone?
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone has a molecular weight of 346.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 163354090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).