3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide

C13H20N4O — CID 113447691

IUPAC3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCCCC1CNC(=O)c1ncccc1N
InChIInChI=1S/C13H20N4O/c1-17-8-3-2-5-10(17)9-16-13(18)12-11(14)6-4-7-15-12/h4,6-7,10H,2-3,5,8-9,14H2,1H3,(H,16,18)
InChIKeyKNGLWZKGCTXPMO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.88
Rot. Bonds3

About 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide

3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 113447691) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID113447691
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCCCC1CNC(=O)c1ncccc1N
InChIInChI=1S/C13H20N4O/c1-17-8-3-2-5-10(17)9-16-13(18)12-11(14)6-4-7-15-12/h4,6-7,10H,2-3,5,8-9,14H2,1H3,(H,16,18)
InChIKeyKNGLWZKGCTXPMO-UHFFFAOYSA-N
XLogP0.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81420315
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 112578645
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020866
3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106022139
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 143144334
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide (CID 113447691) is 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide is CN1CCCCC1CNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is KNGLWZKGCTXPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-8-3-2-5-10(17)9-16-13(18)12-11(14)6-4-7-15-12/h4,6-7,10H,2-3,5,8-9,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide?
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113447691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).