N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide

C16H18N2O3 — CID 56878008

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2c(O)cccc2O)nc1
InChIInChI=1S/C16H18N2O3/c1-3-11-7-8-12(17-9-11)10-18(2)16(21)15-13(19)5-4-6-14(15)20/h4-9,19-20H,3,10H2,1-2H3
InChIKeyLNBHYBSGFJSQRJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds4

About N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide

N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide (PubChem CID 56878008) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
PubChem CID56878008
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2c(O)cccc2O)nc1
InChIInChI=1S/C16H18N2O3/c1-3-11-7-8-12(17-9-11)10-18(2)16(21)15-13(19)5-4-6-14(15)20/h4-9,19-20H,3,10H2,1-2H3
InChIKeyLNBHYBSGFJSQRJ-UHFFFAOYSA-N
XLogP2.33
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 56752041
(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 56754468
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77081692
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
CID 56710868
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594
N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56750480
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119073687
(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 99929265
N-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
CID 118772927
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 91766152

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide (CID 56878008) is N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2c(O)cccc2O)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide?
The InChIKey is LNBHYBSGFJSQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-11-7-8-12(17-9-11)10-18(2)16(21)15-13(19)5-4-6-14(15)20/h4-9,19-20H,3,10H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide?
N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 56878008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).