4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide

C12H18N4O — CID 81243197

IUPAC4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCCC(NC(=O)c2cnccc2N)C1
InChIInChI=1S/C12H18N4O/c1-16-6-2-3-9(8-16)15-12(17)10-7-14-5-4-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyVGOMHWZWTMPAGJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.49
Rot. Bonds2

About 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide

4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 81243197) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
PubChem CID81243197
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCCC(NC(=O)c2cnccc2N)C1
InChIInChI=1S/C12H18N4O/c1-16-6-2-3-9(8-16)15-12(17)10-7-14-5-4-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyVGOMHWZWTMPAGJ-UHFFFAOYSA-N
XLogP0.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
3-hydrazinyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 105071671
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 115115642
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 81239986
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide (CID 81243197) is 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide is CN1CCCC(NC(=O)c2cnccc2N)C1.
What is the InChIKey of 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is VGOMHWZWTMPAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-6-2-3-9(8-16)15-12(17)10-7-14-5-4-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81243197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).