1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide

C13H20N4O — CID 55046708

IUPAC1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccc(N)nc1
InChIInChI=1S/C13H20N4O/c1-15-13(18)11-4-2-3-7-17(11)9-10-5-6-12(14)16-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyVVXFLBAIOHUDAP-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.76
Rot. Bonds3

About 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide

1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 55046708) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID55046708
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccc(N)nc1
InChIInChI=1S/C13H20N4O/c1-15-13(18)11-4-2-3-7-17(11)9-10-5-6-12(14)16-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyVVXFLBAIOHUDAP-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103182204
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978718
N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134799284
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
1-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79260368
ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 62245302
N-methyl-1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 62466604
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide (CID 55046708) is 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1ccc(N)nc1.
What is the InChIKey of 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is VVXFLBAIOHUDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-15-13(18)11-4-2-3-7-17(11)9-10-5-6-12(14)16-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 55046708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).