N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide

C12H18N3O+ — CID 7364464

IUPACN-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide
SMILESC[NH+]1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C12H17N3O/c1-15-8-4-11(5-9-15)14-12(16)10-2-6-13-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,16)/p+1
InChIKeyQTYDFDDKMSOBOZ-UHFFFAOYSA-O
MW220.30 g/mol
LogP-0.51
Rot. Bonds2

About N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide

N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide (PubChem CID 7364464) has the molecular formula C12H18N3O+ and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide
PubChem CID7364464
Molecular FormulaC12H18N3O+
Molecular Weight220.30 g/mol
Exact Mass220.14
IUPAC NameN-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide
SMILESC[NH+]1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C12H17N3O/c1-15-8-4-11(5-9-15)14-12(16)10-2-6-13-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,16)/p+1
InChIKeyQTYDFDDKMSOBOZ-UHFFFAOYSA-O
XLogP-0.51
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide (CID 7364464) is N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide is C[NH+]1CCC(NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide?
The InChIKey is QTYDFDDKMSOBOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17N3O/c1-15-8-4-11(5-9-15)14-12(16)10-2-6-13-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,16)/p+1.
What are the key properties of N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide?
N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide has a molecular weight of 220.30 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 7364464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).