2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide

C11H14ClFN4O — CID 162526842

IUPAC2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(Cl)n2)[C@H](F)C1
InChIInChI=1S/C11H14ClFN4O/c1-17-5-3-8(7(13)6-17)15-10(18)9-2-4-14-11(12)16-9/h2,4,7-8H,3,5-6H2,1H3,(H,15,18)/t7-,8?/m1/s1
InChIKeyVALZHAODRFGJRU-GVHYBUMESA-N
MW272.71 g/mol
LogP0.90
Rot. Bonds2

About 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide

2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide (PubChem CID 162526842) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide
PubChem CID162526842
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC Name2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(Cl)n2)[C@H](F)C1
InChIInChI=1S/C11H14ClFN4O/c1-17-5-3-8(7(13)6-17)15-10(18)9-2-4-14-11(12)16-9/h2,4,7-8H,3,5-6H2,1H3,(H,15,18)/t7-,8?/m1/s1
InChIKeyVALZHAODRFGJRU-GVHYBUMESA-N
XLogP0.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-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

2-Chloropyrimidine-4-carboxamide
CID 247028
N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 169686116
N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774163
N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774193
N-({1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}methyl)pyrimidine-4-carboxamide
CID 56714156
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 72143173
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
6-(piperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628643
1-ethyl-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1H-pyrazole-5-carboxamide
CID 91631464
2-(Methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110269942
N-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}pyrimidine-4-carboxamide
CID 91911100
N-(1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)acetamide
CID 49431027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide (CID 162526842) is 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide is CN1CCC(NC(=O)c2ccnc(Cl)n2)[C@H](F)C1.
What is the InChIKey of 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is VALZHAODRFGJRU-GVHYBUMESA-N. The full InChI is InChI=1S/C11H14ClFN4O/c1-17-5-3-8(7(13)6-17)15-10(18)9-2-4-14-11(12)16-9/h2,4,7-8H,3,5-6H2,1H3,(H,15,18)/t7-,8?/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide?
2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162526842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).