N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide

C23H35N5O — CID 10501003

IUPACN-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
SMILESCC(C)(CN1CCN(c2ncccn2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N5O/c1-22(2,16-27-6-8-28(9-7-27)21-24-4-3-5-25-21)26-20(29)23-13-17-10-18(14-23)12-19(11-17)15-23/h3-5,17-19H,6-16H2,1-2H3,(H,26,29)
InChIKeyGCKZBUSGSIWSQO-UHFFFAOYSA-N
MW397.57 g/mol
LogP2.71
Rot. Bonds5

About N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide

N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide (PubChem CID 10501003) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
PubChem CID10501003
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC NameN-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
SMILESCC(C)(CN1CCN(c2ncccn2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N5O/c1-22(2,16-27-6-8-28(9-7-27)21-24-4-3-5-25-21)26-20(29)23-13-17-10-18(14-23)12-19(11-17)15-23/h3-5,17-19H,6-16H2,1-2H3,(H,26,29)
InChIKeyGCKZBUSGSIWSQO-UHFFFAOYSA-N
XLogP2.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide (CID 10501003) is N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide is CC(C)(CN1CCN(c2ncccn2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide?
The InChIKey is GCKZBUSGSIWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-22(2,16-27-6-8-28(9-7-27)21-24-4-3-5-25-21)26-20(29)23-13-17-10-18(14-23)12-19(11-17)15-23/h3-5,17-19H,6-16H2,1-2H3,(H,26,29).
What are the key properties of N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide?
N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide has a molecular weight of 397.57 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 10501003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).