N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

C27H31N5O2 — CID 129453383

IUPACN-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)C(C)(C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C27H31N5O2/c1-27(2,30-24(33)20-14-9-6-10-15-20)25(34)32-17-11-16-22(32)23-21(19-12-7-5-8-13-19)18-28-26(29-23)31(3)4/h5-10,12-15,18,22H,11,16-17H2,1-4H3,(H,30,33)/t22-/m0/s1
InChIKeyALCYJDZESQZIIW-QFIPXVFZSA-N
MW457.58 g/mol
LogP4.08
Rot. Bonds6

About N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 129453383) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
PubChem CID129453383
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)C(C)(C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C27H31N5O2/c1-27(2,30-24(33)20-14-9-6-10-15-20)25(34)32-17-11-16-22(32)23-21(19-12-7-5-8-13-19)18-28-26(29-23)31(3)4/h5-10,12-15,18,22H,11,16-17H2,1-4H3,(H,30,33)/t22-/m0/s1
InChIKeyALCYJDZESQZIIW-QFIPXVFZSA-N
XLogP4.08
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide 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-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 124962169
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333
3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 92616264
[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 110266280
1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 110266247
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 92616119
3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
CID 92616416
1-[(2S)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-cyclopentylethanone
CID 92616054
N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 155984483
1-[(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95836572
N-[2-[2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110266185

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (CID 129453383) is N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)C(C)(C)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The InChIKey is ALCYJDZESQZIIW-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-27(2,30-24(33)20-14-9-6-10-15-20)25(34)32-17-11-16-22(32)23-21(19-12-7-5-8-13-19)18-28-26(29-23)31(3)4/h5-10,12-15,18,22H,11,16-17H2,1-4H3,(H,30,33)/t22-/m0/s1.
What are the key properties of N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 457.58 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 129453383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).