(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid

C20H20N2O3 — CID 138557708

IUPAC(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid
SMILESCOc1c(C)cnc(CN(C(=O)O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C20H20N2O3/c1-13-11-21-18(14(2)19(13)25-3)12-22(20(23)24)17-9-8-15-6-4-5-7-16(15)10-17/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyQTLNGDBQLYHJNV-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.54
Rot. Bonds4

About (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid

(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid (PubChem CID 138557708) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid
PubChem CID138557708
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid
SMILESCOc1c(C)cnc(CN(C(=O)O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C20H20N2O3/c1-13-11-21-18(14(2)19(13)25-3)12-22(20(23)24)17-9-8-15-6-4-5-7-16(15)10-17/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyQTLNGDBQLYHJNV-UHFFFAOYSA-N
XLogP4.54
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
CID 138557800
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-quinolin-5-ylcarbamic acid
CID 138557915
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylphenyl]-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
CID 138557955
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51128965
tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
CID 138578476
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
CID 47086432
N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 49353764
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-[3-methyl-5-[1-(4-methylphenyl)sulfonylindol-5-yl]phenyl]carbamic acid
CID 138557697
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839
2-[5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophen-3-yl]benzoic acid
CID 175412012
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 51100025

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid?
The IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid (CID 138557708) is (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid.
What is the SMILES notation for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid?
The canonical SMILES for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid is COc1c(C)cnc(CN(C(=O)O)c2ccc3ccccc3c2)c1C.
What is the InChIKey of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid?
The InChIKey is QTLNGDBQLYHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-11-21-18(14(2)19(13)25-3)12-22(20(23)24)17-9-8-15-6-4-5-7-16(15)10-17/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid?
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid has a molecular weight of 336.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid is sourced from PubChem (CID 138557708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).