2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one

C19H22N3O+ — CID 170528673

IUPAC2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one
SMILESCc1cc(-c2cc(=O)c3c[nH+]ccc3[nH]2)c(C)nc1C(C)(C)C
InChIInChI=1S/C19H21N3O/c1-11-8-13(12(2)21-18(11)19(3,4)5)16-9-17(23)14-10-20-7-6-15(14)22-16/h6-10H,1-5H3,(H,22,23)/p+1
InChIKeyVSQIQWKMRXJUGY-UHFFFAOYSA-O
MW308.41 g/mol
LogP3.32
Rot. Bonds1

About 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one

2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one (PubChem CID 170528673) has the molecular formula C19H22N3O+ and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one.

Molecular Properties

Compound Name2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one
PubChem CID170528673
Molecular FormulaC19H22N3O+
Molecular Weight308.41 g/mol
Exact Mass308.18
IUPAC Name2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one
SMILESCc1cc(-c2cc(=O)c3c[nH+]ccc3[nH]2)c(C)nc1C(C)(C)C
InChIInChI=1S/C19H21N3O/c1-11-8-13(12(2)21-18(11)19(3,4)5)16-9-17(23)14-10-20-7-6-15(14)22-16/h6-10H,1-5H3,(H,22,23)/p+1
InChIKeyVSQIQWKMRXJUGY-UHFFFAOYSA-O
XLogP3.32
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2-methylphenyl)-1H-quinolin-4-one
CID 169256966
2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-6-hydroxy-1H-1,6-naphthyridin-6-ium-4-one
CID 170419264
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
CID 169256145
2-(4-tert-butyl-2-ethylphenyl)-1H-quinolin-4-one
CID 169256836
2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781798
2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one
CID 169256334
2-[5-chloro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1H-1,6-naphthyridin-4-one
CID 169257028
2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256802
2-[2-methyl-4-(trimethyl-λ4-sulfanyl)phenyl]-1H-1,6-naphthyridin-4-one
CID 170413062
6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
CID 10541755
4,6,8-triaza-12-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-3-one
CID 136612285
2-[2,5-dimethyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl]-6-fluoro-1H-quinolin-4-one
CID 169257044

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one?
The IUPAC name of 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one (CID 170528673) is 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one.
What is the SMILES notation for 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one?
The canonical SMILES for 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one is Cc1cc(-c2cc(=O)c3c[nH+]ccc3[nH]2)c(C)nc1C(C)(C)C.
What is the InChIKey of 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one?
The InChIKey is VSQIQWKMRXJUGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O/c1-11-8-13(12(2)21-18(11)19(3,4)5)16-9-17(23)14-10-20-7-6-15(14)22-16/h6-10H,1-5H3,(H,22,23)/p+1.
What are the key properties of 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one?
2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one has a molecular weight of 308.41 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2,5-dimethyl-3-pyridinyl)-1H-1,6-naphthyridin-6-ium-4-one is sourced from PubChem (CID 170528673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).