2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide

C24H33N5O2 — CID 70572030

IUPAC2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2cnc(N3CCC(C4CCOCC4)CC3)nc2)c1)C(=O)CN
InChIInChI=1S/C24H33N5O2/c1-28(23(30)14-25)17-18-3-2-4-21(13-18)22-15-26-24(27-16-22)29-9-5-19(6-10-29)20-7-11-31-12-8-20/h2-4,13,15-16,19-20H,5-12,14,17,25H2,1H3
InChIKeyHGZSBJSOUBFDFE-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.70
Rot. Bonds6

About 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide

2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide (PubChem CID 70572030) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
PubChem CID70572030
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2cnc(N3CCC(C4CCOCC4)CC3)nc2)c1)C(=O)CN
InChIInChI=1S/C24H33N5O2/c1-28(23(30)14-25)17-18-3-2-4-21(13-18)22-15-26-24(27-16-22)29-9-5-19(6-10-29)20-7-11-31-12-8-20/h2-4,13,15-16,19-20H,5-12,14,17,25H2,1H3
InChIKeyHGZSBJSOUBFDFE-UHFFFAOYSA-N
XLogP2.70
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide 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-amino-N-methyl-N-[[3-[2-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572864
2-amino-N-methyl-N-[[3-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572228
2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571684
2-amino-N-[[3-[2-[4-(2-methoxyethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]-N-methylacetamide
CID 70572185
2-amino-N-methyl-N-[[3-[2-[4-(5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571158
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
tert-butyl N-[2-[[3-[2-[4-(6-amino-3-pyridinyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl-methylamino]-2-oxoethyl]carbamate
CID 70572200
2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
CID 70572382
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53010331
tert-butyl N-[2-[[3-[2-[4-(diethylcarbamoyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl-methylamino]-2-oxoethyl]carbamate
CID 70571430
2-[[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]phenyl]methyl-methylamino]acetamide
CID 51036699
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide (CID 70572030) is 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide is CN(Cc1cccc(-c2cnc(N3CCC(C4CCOCC4)CC3)nc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?
The InChIKey is HGZSBJSOUBFDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-28(23(30)14-25)17-18-3-2-4-21(13-18)22-15-26-24(27-16-22)29-9-5-19(6-10-29)20-7-11-31-12-8-20/h2-4,13,15-16,19-20H,5-12,14,17,25H2,1H3.
What are the key properties of 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?
2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 70572030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).