N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide

C18H22N4O — CID 136561264

IUPACN-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NC(c2ncccn2)C2CC2)cc1
InChIInChI=1S/C18H22N4O/c1-22(2)12-13-4-6-15(7-5-13)18(23)21-16(14-8-9-14)17-19-10-3-11-20-17/h3-7,10-11,14,16H,8-9,12H2,1-2H3,(H,21,23)
InChIKeyAVKWDDVBWLLFEK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.42
Rot. Bonds6

About N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide

N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide (PubChem CID 136561264) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide
PubChem CID136561264
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NC(c2ncccn2)C2CC2)cc1
InChIInChI=1S/C18H22N4O/c1-22(2)12-13-4-6-15(7-5-13)18(23)21-16(14-8-9-14)17-19-10-3-11-20-17/h3-7,10-11,14,16H,8-9,12H2,1-2H3,(H,21,23)
InChIKeyAVKWDDVBWLLFEK-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 138017734
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957519
1-(1-cyclopropylethyl)-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
CID 47221353
4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 125440095
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122568205
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 119061888
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide
CID 47022569

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide (CID 136561264) is N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(=O)NC(c2ncccn2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
The InChIKey is AVKWDDVBWLLFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(2)12-13-4-6-15(7-5-13)18(23)21-16(14-8-9-14)17-19-10-3-11-20-17/h3-7,10-11,14,16H,8-9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 136561264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).