3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide

C19H25N5O — CID 122352419

IUPAC3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(N(C)C)c2)nc(N2CCCC2)n1
InChIInChI=1S/C19H25N5O/c1-14-11-16(22-19(21-14)24-9-4-5-10-24)13-20-18(25)15-7-6-8-17(12-15)23(2)3/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,20,25)
InChIKeyNNTABUCFGDVUPC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.38
Rot. Bonds5

About 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide

3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122352419) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID122352419
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(N(C)C)c2)nc(N2CCCC2)n1
InChIInChI=1S/C19H25N5O/c1-14-11-16(22-19(21-14)24-9-4-5-10-24)13-20-18(25)15-7-6-8-17(12-15)23(2)3/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,20,25)
InChIKeyNNTABUCFGDVUPC-UHFFFAOYSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]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

3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254297
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254570
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide
CID 122352474
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
[3-(dimethylamino)phenyl]-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339501
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
3-(dimethylamino)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326481
4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide
CID 166201009
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide (CID 122352419) is 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cccc(N(C)C)c2)nc(N2CCCC2)n1.
What is the InChIKey of 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is NNTABUCFGDVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-11-16(22-19(21-14)24-9-4-5-10-24)13-20-18(25)15-7-6-8-17(12-15)23(2)3/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,20,25).
What are the key properties of 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide?
3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122352419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).