N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide

C16H20N6O2 — CID 110123706

IUPACN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
SMILESCN(CC1(O)CCCN(c2ncccn2)C1)C(=O)c1ccncn1
InChIInChI=1S/C16H20N6O2/c1-21(14(23)13-4-8-17-12-20-13)10-16(24)5-2-9-22(11-16)15-18-6-3-7-19-15/h3-4,6-8,12,24H,2,5,9-11H2,1H3
InChIKeyRSWVEPMTHULSHW-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.37
Rot. Bonds4

About N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide (PubChem CID 110123706) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
PubChem CID110123706
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
SMILESCN(CC1(O)CCCN(c2ncccn2)C1)C(=O)c1ccncn1
InChIInChI=1S/C16H20N6O2/c1-21(14(23)13-4-8-17-12-20-13)10-16(24)5-2-9-22(11-16)15-18-6-3-7-19-15/h3-4,6-8,12,24H,2,5,9-11H2,1H3
InChIKeyRSWVEPMTHULSHW-UHFFFAOYSA-N
XLogP0.37
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 110123702
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124940619
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965364
2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
CID 124987350
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 124980570
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 110123611
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110123631
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 124943331
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,2-dimethyl-1,3-oxazole-4-carboxamide
CID 124944697
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110124022
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124957215

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide (CID 110123706) is N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide is CN(CC1(O)CCCN(c2ncccn2)C1)C(=O)c1ccncn1.
What is the InChIKey of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide?
The InChIKey is RSWVEPMTHULSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21(14(23)13-4-8-17-12-20-13)10-16(24)5-2-9-22(11-16)15-18-6-3-7-19-15/h3-4,6-8,12,24H,2,5,9-11H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide?
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 110123706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).