4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide

C23H26N4O — CID 125440095

IUPAC4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
SMILESC[C@H](Cc1cccnc1)NC(=O)c1ccc(-c2ccc(CN(C)C)cn2)cc1
InChIInChI=1S/C23H26N4O/c1-17(13-18-5-4-12-24-14-18)26-23(28)21-9-7-20(8-10-21)22-11-6-19(15-25-22)16-27(2)3/h4-12,14-15,17H,13,16H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyOXMGCZXQWZKYEE-QGZVFWFLSA-N
MW374.49 g/mol
LogP3.57
Rot. Bonds7

About 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide

4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide (PubChem CID 125440095) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
PubChem CID125440095
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
SMILESC[C@H](Cc1cccnc1)NC(=O)c1ccc(-c2ccc(CN(C)C)cn2)cc1
InChIInChI=1S/C23H26N4O/c1-17(13-18-5-4-12-24-14-18)26-23(28)21-9-7-20(8-10-21)22-11-6-19(15-25-22)16-27(2)3/h4-12,14-15,17H,13,16H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyOXMGCZXQWZKYEE-QGZVFWFLSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-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

2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide
CID 122570086
4-(2,4-dioxoimidazolidin-1-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 97203237
N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
CID 47785477
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide
CID 154783650
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125174061
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55877942

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide?
The IUPAC name of 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide (CID 125440095) is 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide is C[C@H](Cc1cccnc1)NC(=O)c1ccc(-c2ccc(CN(C)C)cn2)cc1.
What is the InChIKey of 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide?
The InChIKey is OXMGCZXQWZKYEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(13-18-5-4-12-24-14-18)26-23(28)21-9-7-20(8-10-21)22-11-6-19(15-25-22)16-27(2)3/h4-12,14-15,17H,13,16H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide?
4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide is sourced from PubChem (CID 125440095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).