(2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide

C40H51N10O8+ — CID 158733873

IUPAC(2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)cc[n+]1O.CC(=O)Nc1cc(C)ccn1.CC(=O)Nc1cc(CO)ccn1.CC(=O)Nc1cc(COC(C)=O)ccn1.Cc1ccnc(N)c1
InChIInChI=1S/C10H12N2O3.2C8H10N2O2.C8H10N2O.C6H8N2/c1-7(13)12-10-5-9(3-4-11-10)6-15-8(2)14;1-6-3-4-10(12)8(5-6)9-7(2)11;1-6(12)10-8-4-7(5-11)2-3-9-8;1-6-3-4-9-8(5-6)10-7(2)11;1-5-2-3-8-6(7)4-5/h3-5H,6H2,1-2H3,(H,11,12,13);3-5,12H,1-2H3;2-4,11H,5H2,1H3,(H,9,10,12);3-5H,1-2H3,(H,9,10,11);2-4H,1H3,(H2,7,8)/p+1
InChIKeyVULUSAWQVCGOKH-UHFFFAOYSA-O
MW799.91 g/mol
LogP4.43
Rot. Bonds7

About (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide

(2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 158733873) has the molecular formula C40H51N10O8+ and a molecular weight of 799.91 g/mol. Its IUPAC name is (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name(2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide
PubChem CID158733873
Molecular FormulaC40H51N10O8+
Molecular Weight799.91 g/mol
Exact Mass799.39
IUPAC Name(2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)cc[n+]1O.CC(=O)Nc1cc(C)ccn1.CC(=O)Nc1cc(CO)ccn1.CC(=O)Nc1cc(COC(C)=O)ccn1.Cc1ccnc(N)c1
InChIInChI=1S/C10H12N2O3.2C8H10N2O2.C8H10N2O.C6H8N2/c1-7(13)12-10-5-9(3-4-11-10)6-15-8(2)14;1-6-3-4-10(12)8(5-6)9-7(2)11;1-6(12)10-8-4-7(5-11)2-3-9-8;1-6-3-4-9-8(5-6)10-7(2)11;1-5-2-3-8-6(7)4-5/h3-5H,6H2,1-2H3,(H,11,12,13);3-5,12H,1-2H3;2-4,11H,5H2,1H3,(H,9,10,12);3-5H,1-2H3,(H,9,10,11);2-4H,1H3,(H2,7,8)/p+1
InChIKeyVULUSAWQVCGOKH-UHFFFAOYSA-O
XLogP4.43
TPSA264.62 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500799.91
LogP ≤ 54.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide (CID 158733873) is (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide is CC(=O)Nc1cc(C)cc[n+]1O.CC(=O)Nc1cc(C)ccn1.CC(=O)Nc1cc(CO)ccn1.CC(=O)Nc1cc(COC(C)=O)ccn1.Cc1ccnc(N)c1.
What is the InChIKey of (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is VULUSAWQVCGOKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N2O3.2C8H10N2O2.C8H10N2O.C6H8N2/c1-7(13)12-10-5-9(3-4-11-10)6-15-8(2)14;1-6-3-4-10(12)8(5-6)9-7(2)11;1-6(12)10-8-4-7(5-11)2-3-9-8;1-6-3-4-9-8(5-6)10-7(2)11;1-5-2-3-8-6(7)4-5/h3-5H,6H2,1-2H3,(H,11,12,13);3-5,12H,1-2H3;2-4,11H,5H2,1H3,(H,9,10,12);3-5H,1-2H3,(H,9,10,11);2-4H,1H3,(H2,7,8)/p+1.
What are the key properties of (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide?
(2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 799.91 g/mol, XLogP of 4.43, 7 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-4-pyridinyl)methyl acetate;N-(1-hydroxy-4-methylpyridin-1-ium-2-yl)acetamide;N-[4-(hydroxymethyl)-2-pyridinyl]acetamide;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 158733873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).