N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide

C25H36N6O3 — CID 132779906

IUPACN-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCNc1cc(N2CCCC(O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1
InChIInChI=1S/C25H36N6O3/c1-26-22-16-23(29-19-28-22)31-13-5-10-25(33,18-31)17-27-24(32)20-6-8-21(9-7-20)34-15-14-30-11-3-2-4-12-30/h6-9,16,19,33H,2-5,10-15,17-18H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyYZHQSNTVVKGFIN-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.14
Rot. Bonds9

About N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 132779906) has the molecular formula C25H36N6O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID132779906
Molecular FormulaC25H36N6O3
Molecular Weight468.60 g/mol
Exact Mass468.28
IUPAC NameN-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCNc1cc(N2CCCC(O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1
InChIInChI=1S/C25H36N6O3/c1-26-22-16-23(29-19-28-22)31-13-5-10-25(33,18-31)17-27-24(32)20-6-8-21(9-7-20)34-15-14-30-11-3-2-4-12-30/h6-9,16,19,33H,2-5,10-15,17-18H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyYZHQSNTVVKGFIN-UHFFFAOYSA-N
XLogP2.14
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)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-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110159152
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 110155359
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
CID 124969188
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124958791
(3R)-3-[[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methylamino]methyl]-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 129456919
N-[[(3S)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenoxy]acetamide
CID 124976415
3-[[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 132780517
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
1-(6-methylpyrimidin-4-yl)-3-[[[3-(2-piperidin-1-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 171687644

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 132779906) is N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide is CNc1cc(N2CCCC(O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1.
What is the InChIKey of N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is YZHQSNTVVKGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O3/c1-26-22-16-23(29-19-28-22)31-13-5-10-25(33,18-31)17-27-24(32)20-6-8-21(9-7-20)34-15-14-30-11-3-2-4-12-30/h6-9,16,19,33H,2-5,10-15,17-18H2,1H3,(H,27,32)(H,26,28,29).
What are the key properties of N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 468.60 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 132779906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).