N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide

C23H31N5O2 — CID 110155359

IUPACN-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1
InChIInChI=1S/C23H31N5O2/c1-18-13-21(26-17-25-18)28-12-4-9-23(30,16-28)15-24-22(29)20-7-5-19(6-8-20)14-27-10-2-3-11-27/h5-8,13,17,30H,2-4,9-12,14-16H2,1H3,(H,24,29)
InChIKeyZURHEPGJPQDSNY-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.14
Rot. Bonds6

About N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 110155359) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID110155359
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1
InChIInChI=1S/C23H31N5O2/c1-18-13-21(26-17-25-18)28-12-4-9-23(30,16-28)15-24-22(29)20-7-5-19(6-8-20)14-27-10-2-3-11-27/h5-8,13,17,30H,2-4,9-12,14-16H2,1H3,(H,24,29)
InChIKeyZURHEPGJPQDSNY-UHFFFAOYSA-N
XLogP2.14
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide 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-[[(3S)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124989423
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 124976909
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 124941727
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 124964330
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124958791
N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 132779906
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-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
CID 124957441
4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
CID 124996932
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
CID 124969188
N-[[(3R)-1-[6-(benzylamino)pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-hydroxybenzamide
CID 154815692

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 110155359) is N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide is Cc1cc(N2CCCC(O)(CNC(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1.
What is the InChIKey of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is ZURHEPGJPQDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-18-13-21(26-17-25-18)28-12-4-9-23(30,16-28)15-24-22(29)20-7-5-19(6-8-20)14-27-10-2-3-11-27/h5-8,13,17,30H,2-4,9-12,14-16H2,1H3,(H,24,29).
What are the key properties of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 110155359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).