N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide

C18H23N5O2 — CID 124941727

IUPACN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
SMILESCc1cc(N2CCC[C@@](O)(CNC(=O)Cc3cccnc3)C2)ncn1
InChIInChI=1S/C18H23N5O2/c1-14-8-16(22-13-21-14)23-7-3-5-18(25,12-23)11-20-17(24)9-15-4-2-6-19-10-15/h2,4,6,8,10,13,25H,3,5,7,9,11-12H2,1H3,(H,20,24)/t18-/m1/s1
InChIKeyAPHJEDYROMKPMT-GOSISDBHSA-N
MW341.41 g/mol
LogP0.87
Rot. Bonds5

About N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide

N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide (PubChem CID 124941727) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
PubChem CID124941727
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
SMILESCc1cc(N2CCC[C@@](O)(CNC(=O)Cc3cccnc3)C2)ncn1
InChIInChI=1S/C18H23N5O2/c1-14-8-16(22-13-21-14)23-7-3-5-18(25,12-23)11-20-17(24)9-15-4-2-6-19-10-15/h2,4,6,8,10,13,25H,3,5,7,9,11-12H2,1H3,(H,20,24)/t18-/m1/s1
InChIKeyAPHJEDYROMKPMT-GOSISDBHSA-N
XLogP0.87
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 110123600
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 110155359
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 155989790
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 124964330
3-(3-fluorophenyl)-N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 110124398
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
CID 124957441
3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125001107
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 110123546
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(methoxymethyl)benzamide
CID 110123551

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide (CID 124941727) is N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide is Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3cccnc3)C2)ncn1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide?
The InChIKey is APHJEDYROMKPMT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-8-16(22-13-21-14)23-7-3-5-18(25,12-23)11-20-17(24)9-15-4-2-6-19-10-15/h2,4,6,8,10,13,25H,3,5,7,9,11-12H2,1H3,(H,20,24)/t18-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide?
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide has a molecular weight of 341.41 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 124941727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).