4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide

C23H24N6O3 — CID 110084518

IUPAC4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(=O)n(CC(=O)N2CCCC2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1
InChIInChI=1S/C23H24N6O3/c1-15-10-11-20(30)29(27-15)14-21(31)28-12-6-9-19(28)22-24-13-18(16(2)25-22)23(32)26-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,26,32)
InChIKeyGPIVYGXDUZNRIO-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.27
Rot. Bonds5

About 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide

4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 110084518) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
PubChem CID110084518
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(=O)n(CC(=O)N2CCCC2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1
InChIInChI=1S/C23H24N6O3/c1-15-10-11-20(30)29(27-15)14-21(31)28-12-6-9-19(28)22-24-13-18(16(2)25-22)23(32)26-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,26,32)
InChIKeyGPIVYGXDUZNRIO-UHFFFAOYSA-N
XLogP2.27
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide 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-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084560
4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 92637327
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110247436
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide (CID 110084518) is 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide is Cc1ccc(=O)n(CC(=O)N2CCCC2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1.
What is the InChIKey of 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is GPIVYGXDUZNRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15-10-11-20(30)29(27-15)14-21(31)28-12-6-9-19(28)22-24-13-18(16(2)25-22)23(32)26-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,26,32).
What are the key properties of 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).