2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide

C26H31N5O2 — CID 167909038

IUPAC2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC(CNC(=O)c3cc(C)n(C)c3C)(c3ccccc3)C2)c(C)n1
InChIInChI=1S/C26H31N5O2/c1-16-11-22(18(3)31(16)5)24(32)28-15-26(20-9-7-6-8-10-20)12-21(13-26)30-25(33)23-14-27-19(4)29-17(23)2/h6-11,14,21H,12-13,15H2,1-5H3,(H,28,32)(H,30,33)
InChIKeyJAKYZXQVPDFPFY-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.31
Rot. Bonds6

About 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide (PubChem CID 167909038) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide
PubChem CID167909038
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC(CNC(=O)c3cc(C)n(C)c3C)(c3ccccc3)C2)c(C)n1
InChIInChI=1S/C26H31N5O2/c1-16-11-22(18(3)31(16)5)24(32)28-15-26(20-9-7-6-8-10-20)12-21(13-26)30-25(33)23-14-27-19(4)29-17(23)2/h6-11,14,21H,12-13,15H2,1-5H3,(H,28,32)(H,30,33)
InChIKeyJAKYZXQVPDFPFY-UHFFFAOYSA-N
XLogP3.31
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-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

N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622625
2-[2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526606
5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288
3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701052
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide (CID 167909038) is 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CC(CNC(=O)c3cc(C)n(C)c3C)(c3ccccc3)C2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide?
The InChIKey is JAKYZXQVPDFPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-16-11-22(18(3)31(16)5)24(32)28-15-26(20-9-7-6-8-10-20)12-21(13-26)30-25(33)23-14-27-19(4)29-17(23)2/h6-11,14,21H,12-13,15H2,1-5H3,(H,28,32)(H,30,33).
What are the key properties of 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-phenyl-3-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]cyclobutyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 167909038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).