5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

C12H18N4O2 — CID 167179178

IUPAC5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCNC(CO)C2)cn1
InChIInChI=1S/C12H18N4O2/c1-13-12(18)11-3-2-10(6-15-11)16-5-4-14-9(7-16)8-17/h2-3,6,9,14,17H,4-5,7-8H2,1H3,(H,13,18)
InChIKeyWJVSYMJDNGRVET-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.79
Rot. Bonds3

About 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 167179178) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID167179178
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCNC(CO)C2)cn1
InChIInChI=1S/C12H18N4O2/c1-13-12(18)11-3-2-10(6-15-11)16-5-4-14-9(7-16)8-17/h2-3,6,9,14,17H,4-5,7-8H2,1H3,(H,13,18)
InChIKeyWJVSYMJDNGRVET-UHFFFAOYSA-N
XLogP-0.79
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435
N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide
CID 176964530
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 166021939
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide;hydrochloride
CID 170561549
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
CID 169189713
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149204
[4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol
CID 130444990
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5-(3-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 90469445

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 167179178) is 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCNC(CO)C2)cn1.
What is the InChIKey of 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is WJVSYMJDNGRVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-12(18)11-3-2-10(6-15-11)16-5-4-14-9(7-16)8-17/h2-3,6,9,14,17H,4-5,7-8H2,1H3,(H,13,18).
What are the key properties of 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167179178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).