2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide

C13H19N3O2 — CID 115116084

IUPAC2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccnc(CO)c2)C1
InChIInChI=1S/C13H19N3O2/c1-15-6-4-12(8-15)16(2)13(18)10-3-5-14-11(7-10)9-17/h3,5,7,12,17H,4,6,8-9H2,1-2H3
InChIKeyXIJXFHJJFDWSAR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.35
Rot. Bonds3

About 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide

2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 115116084) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID115116084
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccnc(CO)c2)C1
InChIInChI=1S/C13H19N3O2/c1-15-6-4-12(8-15)16(2)13(18)10-3-5-14-11(7-10)9-17/h3,5,7,12,17H,4,6,8-9H2,1-2H3
InChIKeyXIJXFHJJFDWSAR-UHFFFAOYSA-N
XLogP0.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116082
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 125442995
4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 126434542
2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116342
ethyl 6-[3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]carbamoyl]phenyl]pyridine-3-carboxylate
CID 126439885
N-cyclopropyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62168437
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 124985180
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (CID 115116084) is 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is CN1CCC(N(C)C(=O)c2ccnc(CO)c2)C1.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is XIJXFHJJFDWSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-4-12(8-15)16(2)13(18)10-3-5-14-11(7-10)9-17/h3,5,7,12,17H,4,6,8-9H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115116084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).