1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid

C13H20N2O4 — CID 170310396

IUPAC1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid
SMILESCCc1cc(OC)c(CC(C)NC(=O)O)nc1OC
InChIInChI=1S/C13H20N2O4/c1-5-9-7-11(18-3)10(15-12(9)19-4)6-8(2)14-13(16)17/h7-8,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyCCUCNWUCMOVCOQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.86
Rot. Bonds6

About 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid

1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid (PubChem CID 170310396) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid
PubChem CID170310396
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid
SMILESCCc1cc(OC)c(CC(C)NC(=O)O)nc1OC
InChIInChI=1S/C13H20N2O4/c1-5-9-7-11(18-3)10(15-12(9)19-4)6-8(2)14-13(16)17/h7-8,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyCCUCNWUCMOVCOQ-UHFFFAOYSA-N
XLogP1.86
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-ethyl-2-methoxy-5-methyl-3-pyridinyl)carbamic acid
CID 57279989
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid
CID 143432123
tert-butyl N-[1-(5-cyclopropyl-3,6-dimethoxy-2-pyridinyl)butan-2-yl]carbamate
CID 169246587
6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
CID 90819541
2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
CID 134664061
2-(3,6-dimethoxy-5-propyl-2-pyridinyl)ethanamine
CID 169246607
[(2S)-1-(2-methoxycarbonylphenyl)propan-2-yl]carbamic acid
CID 67083581
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060
N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)ethyl]benzamide
CID 832433
ethyl 2-[6-(chloromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134676827

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid?
The IUPAC name of 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid (CID 170310396) is 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid.
What is the SMILES notation for 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid?
The canonical SMILES for 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid is CCc1cc(OC)c(CC(C)NC(=O)O)nc1OC.
What is the InChIKey of 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid?
The InChIKey is CCUCNWUCMOVCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-5-9-7-11(18-3)10(15-12(9)19-4)6-8(2)14-13(16)17/h7-8,14H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid?
1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid has a molecular weight of 268.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid is sourced from PubChem (CID 170310396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).