[4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol

C21H24N2O4 — CID 20645364

IUPAC[4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol
SMILESCOc1cc2cc(CO)c(CO)c(-c3cccc(N(C)C)n3)c2cc1OC
InChIInChI=1S/C21H24N2O4/c1-23(2)20-7-5-6-17(22-20)21-15-10-19(27-4)18(26-3)9-13(15)8-14(11-24)16(21)12-25/h5-10,24-25H,11-12H2,1-4H3
InChIKeyNGJNHWXVGSMMFU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.97
Rot. Bonds6

About [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol

[4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol (PubChem CID 20645364) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol
PubChem CID20645364
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol
SMILESCOc1cc2cc(CO)c(CO)c(-c3cccc(N(C)C)n3)c2cc1OC
InChIInChI=1S/C21H24N2O4/c1-23(2)20-7-5-6-17(22-20)21-15-10-19(27-4)18(26-3)9-13(15)8-14(11-24)16(21)12-25/h5-10,24-25H,11-12H2,1-4H3
InChIKeyNGJNHWXVGSMMFU-UHFFFAOYSA-N
XLogP2.97
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-Dimethoxy-2-methylphenyl)-6,7-dimethoxy-1-isoquinolinylamine
CID 1006316
1-[4-[2,3-Bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2-pyridinyl]pyridin-2-one
CID 10669693
1-[2-(2-Oxo-1,2-dihydroquinolin-1-yl)-4-pyridyl]-2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalene
CID 9912467
3-(4-Methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine
CID 24951690
3-(1,3-Benzodioxol-5-yl)-6-methylisoquinolin-1-amine
CID 24951693
3-(3,4-Dimethoxyphenyl)-6-methylisoquinolin-1-amine
CID 24951694
6,7-Dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine
CID 46931244
6,7-Dimethoxy-3-phenylisoquinolin-1-amine
CID 49844147
6,7-Dimethoxy-3-(2-methylphenyl)isoquinolin-1-amine
CID 49844152
3-(3,4-dimethoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride
CID 49865490
3-(1,3-Benzodioxol-5-yl)-7-methylisoquinolin-1-amine;hydrochloride
CID 49864762
3-(2,6-Dimethylphenyl)-6,7-dimethoxyisoquinolin-1-amine;hydrochloride
CID 49864764

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
The IUPAC name of [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol (CID 20645364) is [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol.
What is the SMILES notation for [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
The canonical SMILES for [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol is COc1cc2cc(CO)c(CO)c(-c3cccc(N(C)C)n3)c2cc1OC.
What is the InChIKey of [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
The InChIKey is NGJNHWXVGSMMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23(2)20-7-5-6-17(22-20)21-15-10-19(27-4)18(26-3)9-13(15)8-14(11-24)16(21)12-25/h5-10,24-25H,11-12H2,1-4H3.
What are the key properties of [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
[4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol has a molecular weight of 368.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)-2-pyridinyl]-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol is sourced from PubChem (CID 20645364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).