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

C17H20FN5O2 — CID 124940619

IUPACN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccncn1
InChIInChI=1S/C17H20FN5O2/c1-22(16(24)14-5-7-19-12-21-14)10-17(25)6-2-8-23(11-17)15-4-3-13(18)9-20-15/h3-5,7,9,12,25H,2,6,8,10-11H2,1H3/t17-/m0/s1
InChIKeyAHMYVQKJJOIRCI-KRWDZBQOSA-N
MW345.38 g/mol
LogP1.11
Rot. Bonds4

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

N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide (PubChem CID 124940619) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
PubChem CID124940619
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccncn1
InChIInChI=1S/C17H20FN5O2/c1-22(16(24)14-5-7-19-12-21-14)10-17(25)6-2-8-23(11-17)15-4-3-13(18)9-20-15/h3-5,7,9,12,25H,2,6,8,10-11H2,1H3/t17-/m0/s1
InChIKeyAHMYVQKJJOIRCI-KRWDZBQOSA-N
XLogP1.11
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124972905
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 124944187
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
CID 110123706
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 110124139
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 124998973
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
CID 124950829
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110124022

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide (CID 124940619) is N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide is CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccncn1.
What is the InChIKey of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
The InChIKey is AHMYVQKJJOIRCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-22(16(24)14-5-7-19-12-21-14)10-17(25)6-2-8-23(11-17)15-4-3-13(18)9-20-15/h3-5,7,9,12,25H,2,6,8,10-11H2,1H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 124940619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).