N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

C25H32N6O2 — CID 92638511

IUPACN-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc(N(C)C)n1
InChIInChI=1S/C25H32N6O2/c1-17(32)31-13-7-10-22(31)25-27-19(14-23(28-25)29(2)3)16-30(4)24(33)12-11-18-15-26-21-9-6-5-8-20(18)21/h5-6,8-9,14-15,22,26H,7,10-13,16H2,1-4H3/t22-/m1/s1
InChIKeyURNDMQMODPHZMN-JOCHJYFZSA-N
MW448.57 g/mol
LogP3.30
Rot. Bonds7

About N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 92638511) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID92638511
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc(N(C)C)n1
InChIInChI=1S/C25H32N6O2/c1-17(32)31-13-7-10-22(31)25-27-19(14-23(28-25)29(2)3)16-30(4)24(33)12-11-18-15-26-21-9-6-5-8-20(18)21/h5-6,8-9,14-15,22,26H,7,10-13,16H2,1-4H3/t22-/m1/s1
InChIKeyURNDMQMODPHZMN-JOCHJYFZSA-N
XLogP3.30
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide
CID 110092483
N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
CID 110259530
N-[[6-(dimethylamino)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259598
1-[(2S)-2-[4-(dimethylamino)-6-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92638516
N-[[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624317
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 50984517
1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977676
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 51269932
1-[(3aS,9aR)-1-acetyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110136219
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92638531
4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 38304184
3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 94783773

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 92638511) is N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc(N(C)C)n1.
What is the InChIKey of N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is URNDMQMODPHZMN-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17(32)31-13-7-10-22(31)25-27-19(14-23(28-25)29(2)3)16-30(4)24(33)12-11-18-15-26-21-9-6-5-8-20(18)21/h5-6,8-9,14-15,22,26H,7,10-13,16H2,1-4H3/t22-/m1/s1.
What are the key properties of N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 448.57 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 92638511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).