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

C16H18FN5O — CID 122353231

IUPAC3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccncc1F
InChIInChI=1S/C16H18FN5O/c17-14-11-18-6-5-13(14)15(23)20-10-12-4-7-19-16(21-12)22-8-2-1-3-9-22/h4-7,11H,1-3,8-10H2,(H,20,23)
InChIKeyWYDZQISAPOXURU-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.93
Rot. Bonds4

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

3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 122353231) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
PubChem CID122353231
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccncc1F
InChIInChI=1S/C16H18FN5O/c17-14-11-18-6-5-13(14)15(23)20-10-12-4-7-19-16(21-12)22-8-2-1-3-9-22/h4-7,11H,1-3,8-10H2,(H,20,23)
InChIKeyWYDZQISAPOXURU-UHFFFAOYSA-N
XLogP1.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122352933
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353084
2-(difluoromethylsulfanyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353149
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (CID 122353231) is 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is O=C(NCc1ccnc(N2CCCCC2)n1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is WYDZQISAPOXURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-14-11-18-6-5-13(14)15(23)20-10-12-4-7-19-16(21-12)22-8-2-1-3-9-22/h4-7,11H,1-3,8-10H2,(H,20,23).
What are the key properties of 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 122353231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).