N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide

C17H21FN5O3+ — CID 167997054

IUPACN-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide
SMILESCN1C(=O)C(N2CCC(NC(=O)c3ccncc3F)CC2)C=[N+](C)C1=O
InChIInChI=1S/C17H20FN5O3/c1-21-10-14(16(25)22(2)17(21)26)23-7-4-11(5-8-23)20-15(24)12-3-6-19-9-13(12)18/h3,6,9-11,14H,4-5,7-8H2,1-2H3/p+1
InChIKeyNCMWFNLXPXCLID-UHFFFAOYSA-O
MW362.39 g/mol
LogP0.09
Rot. Bonds3

About N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide

N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 167997054) has the molecular formula C17H21FN5O3+ and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide
PubChem CID167997054
Molecular FormulaC17H21FN5O3+
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide
SMILESCN1C(=O)C(N2CCC(NC(=O)c3ccncc3F)CC2)C=[N+](C)C1=O
InChIInChI=1S/C17H20FN5O3/c1-21-10-14(16(25)22(2)17(21)26)23-7-4-11(5-8-23)20-15(24)12-3-6-19-9-13(12)18/h3,6,9-11,14H,4-5,7-8H2,1-2H3/p+1
InChIKeyNCMWFNLXPXCLID-UHFFFAOYSA-O
XLogP0.09
TPSA85.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
4-tert-butyl-N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]benzamide
CID 167997003
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-6-methoxy-1H-indole-2-carboxamide
CID 167997146
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
3-fluoro-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 126853296
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 124588987

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide (CID 167997054) is N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide is CN1C(=O)C(N2CCC(NC(=O)c3ccncc3F)CC2)C=[N+](C)C1=O.
What is the InChIKey of N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is NCMWFNLXPXCLID-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20FN5O3/c1-21-10-14(16(25)22(2)17(21)26)23-7-4-11(5-8-23)20-15(24)12-3-6-19-9-13(12)18/h3,6,9-11,14H,4-5,7-8H2,1-2H3/p+1.
What are the key properties of N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide?
N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 167997054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).