3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide

C17H20FN5O — CID 122352933

IUPAC3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccncc2F)nc(N2CCCCC2)n1
InChIInChI=1S/C17H20FN5O/c1-12-9-13(22-17(21-12)23-7-3-2-4-8-23)10-20-16(24)14-5-6-19-11-15(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,20,24)
InChIKeyAPPRWHBXGAKGNX-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.24
Rot. Bonds4

About 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide

3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 122352933) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
PubChem CID122352933
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccncc2F)nc(N2CCCCC2)n1
InChIInChI=1S/C17H20FN5O/c1-12-9-13(22-17(21-12)23-7-3-2-4-8-23)10-20-16(24)14-5-6-19-11-15(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,20,24)
InChIKeyAPPRWHBXGAKGNX-UHFFFAOYSA-N
XLogP2.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2-(1,3-benzodioxol-5-yl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352849
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (CID 122352933) is 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is Cc1cc(CNC(=O)c2ccncc2F)nc(N2CCCCC2)n1.
What is the InChIKey of 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is APPRWHBXGAKGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-12-9-13(22-17(21-12)23-7-3-2-4-8-23)10-20-16(24)14-5-6-19-11-15(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,20,24).
What are the key properties of 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 122352933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).