6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide

C17H20FN5O — CID 125020264

IUPAC6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C[C@H]2CCCN(c3ccc(F)cn3)C2)cc(C(N)=O)n1
InChIInChI=1S/C17H20FN5O/c1-11-21-14(8-15(22-11)17(19)24)7-12-3-2-6-23(10-12)16-5-4-13(18)9-20-16/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,19,24)/t12-/m1/s1
InChIKeyYBOTXKPCPJIZCE-GFCCVEGCSA-N
MW329.38 g/mol
LogP1.88
Rot. Bonds4

About 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide

6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 125020264) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID125020264
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C[C@H]2CCCN(c3ccc(F)cn3)C2)cc(C(N)=O)n1
InChIInChI=1S/C17H20FN5O/c1-11-21-14(8-15(22-11)17(19)24)7-12-3-2-6-23(10-12)16-5-4-13(18)9-20-16/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,19,24)/t12-/m1/s1
InChIKeyYBOTXKPCPJIZCE-GFCCVEGCSA-N
XLogP1.88
TPSA85.00 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-N,2-dimethylpyrimidine-4-carboxamide
CID 125018988
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343
5-fluoro-2-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 124957202
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
6-[[(4S)-1-pyrimidin-4-ylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124989944
N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
CID 166603265
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
6-[[1-[2-(4-fluorophenyl)acetyl]azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 110110360

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide (CID 125020264) is 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(C[C@H]2CCCN(c3ccc(F)cn3)C2)cc(C(N)=O)n1.
What is the InChIKey of 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is YBOTXKPCPJIZCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-11-21-14(8-15(22-11)17(19)24)7-12-3-2-6-23(10-12)16-5-4-13(18)9-20-16/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,19,24)/t12-/m1/s1.
What are the key properties of 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide?
6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 125020264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).