N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide

C14H20N5O2+ — CID 7103785

IUPACN'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide
SMILESC[NH+]1CCC(=NNC(=O)C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H19N5O2/c1-19-8-5-11(6-9-19)17-18-14(21)13(20)16-10-12-4-2-3-7-15-12/h2-4,7H,5-6,8-10H2,1H3,(H,16,20)(H,18,21)/p+1
InChIKeyMGOXGOSDSOVODY-UHFFFAOYSA-O
MW290.35 g/mol
LogP-1.52
Rot. Bonds3

About N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide

N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 7103785) has the molecular formula C14H20N5O2+ and a molecular weight of 290.35 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide
PubChem CID7103785
Molecular FormulaC14H20N5O2+
Molecular Weight290.35 g/mol
Exact Mass290.16
IUPAC NameN'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide
SMILESC[NH+]1CCC(=NNC(=O)C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H19N5O2/c1-19-8-5-11(6-9-19)17-18-14(21)13(20)16-10-12-4-2-3-7-15-12/h2-4,7H,5-6,8-10H2,1H3,(H,16,20)(H,18,21)/p+1
InChIKeyMGOXGOSDSOVODY-UHFFFAOYSA-O
XLogP-1.52
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide (CID 7103785) is N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide is C[NH+]1CCC(=NNC(=O)C(=O)NCc2ccccn2)CC1.
What is the InChIKey of N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is MGOXGOSDSOVODY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N5O2/c1-19-8-5-11(6-9-19)17-18-14(21)13(20)16-10-12-4-2-3-7-15-12/h2-4,7H,5-6,8-10H2,1H3,(H,16,20)(H,18,21)/p+1.
What are the key properties of N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide?
N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 290.35 g/mol, XLogP of -1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 7103785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).