N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen

C11H18N2O2 — CID 171523322

IUPACN-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
SMILESCOc1cncc(CNC(=O)C(C)C)c1.[H][H]
InChIInChI=1S/C11H16N2O2.H2/c1-8(2)11(14)13-6-9-4-10(15-3)7-12-5-9;/h4-5,7-8H,6H2,1-3H3,(H,13,14);1H
InChIKeyWLLHCCUFMRPBCV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.61
Rot. Bonds4

About N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen

N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen (PubChem CID 171523322) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
PubChem CID171523322
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
SMILESCOc1cncc(CNC(=O)C(C)C)c1.[H][H]
InChIInChI=1S/C11H16N2O2.H2/c1-8(2)11(14)13-6-9-4-10(15-3)7-12-5-9;/h4-5,7-8H,6H2,1-3H3,(H,13,14);1H
InChIKeyWLLHCCUFMRPBCV-UHFFFAOYSA-N
XLogP1.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
CID 126829062
2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 171677233
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
(2S)-2-(3-methoxyphenyl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 95252902

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen (CID 171523322) is N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen is COc1cncc(CNC(=O)C(C)C)c1.[H][H].
What is the InChIKey of N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is WLLHCCUFMRPBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.H2/c1-8(2)11(14)13-6-9-4-10(15-3)7-12-5-9;/h4-5,7-8H,6H2,1-3H3,(H,13,14);1H.
What are the key properties of N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen?
N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 210.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 171523322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).