N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H28N6O — CID 124949611

IUPACN-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C19H28N6O/c1-12-16(13(2)25(5)23-12)9-18(26)21-11-15-10-20-14(3)22-19(15)17-7-6-8-24(17)4/h10,17H,6-9,11H2,1-5H3,(H,21,26)/t17-/m0/s1
InChIKeyCVKZGQPEHKBOBC-KRWDZBQOSA-N
MW356.47 g/mol
LogP1.76
Rot. Bonds5

About N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 124949611) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID124949611
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C19H28N6O/c1-12-16(13(2)25(5)23-12)9-18(26)21-11-15-10-20-14(3)22-19(15)17-7-6-8-24(17)4/h10,17H,6-9,11H2,1-5H3,(H,21,26)/t17-/m0/s1
InChIKeyCVKZGQPEHKBOBC-KRWDZBQOSA-N
XLogP1.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide 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-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 124949611) is N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)c([C@@H]2CCCN2C)n1.
What is the InChIKey of N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is CVKZGQPEHKBOBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-12-16(13(2)25(5)23-12)9-18(26)21-11-15-10-20-14(3)22-19(15)17-7-6-8-24(17)4/h10,17H,6-9,11H2,1-5H3,(H,21,26)/t17-/m0/s1.
What are the key properties of N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 124949611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).