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

C13H20N4O — CID 105069827

IUPAC3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCCC(N(C)C(=O)c2ccncc2N)C1
InChIInChI=1S/C13H20N4O/c1-16-7-3-4-10(9-16)17(2)13(18)11-5-6-15-8-12(11)14/h5-6,8,10H,3-4,7,9,14H2,1-2H3
InChIKeyKRHZQPDRFXYMOQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds2

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

3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 105069827) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
PubChem CID105069827
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCCC(N(C)C(=O)c2ccncc2N)C1
InChIInChI=1S/C13H20N4O/c1-16-7-3-4-10(9-16)17(2)13(18)11-5-6-15-8-12(11)14/h5-6,8,10H,3-4,7,9,14H2,1-2H3
InChIKeyKRHZQPDRFXYMOQ-UHFFFAOYSA-N
XLogP0.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546983
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 62546139
N-(4-aminocyclohexyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446362
N-cyclobutyl-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072506
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
8-N-methyl-8-N-(1-methylpiperidin-3-yl)isoquinoline-5,8-diamine
CID 103138139
3-amino-N-cyclopropyl-N-ethylpyridine-4-carboxamide
CID 105068531
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide
CID 62540889
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270
2-amino-N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]benzamide;dihydrochloride
CID 119947295

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide (CID 105069827) is 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide is CN1CCCC(N(C)C(=O)c2ccncc2N)C1.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is KRHZQPDRFXYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-7-3-4-10(9-16)17(2)13(18)11-5-6-15-8-12(11)14/h5-6,8,10H,3-4,7,9,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105069827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).