N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

C22H24N4O — CID 46886533

IUPACN-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-26(21(27)19-12-8-9-16(2)15-19)20-13-14-23-22(25-20)24-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m0/s1
InChIKeyZQGFBKWNEQRAPD-KRWDZBQOSA-N
MW360.46 g/mol
LogP4.62
Rot. Bonds6

About N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (PubChem CID 46886533) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
PubChem CID46886533
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-26(21(27)19-12-8-9-16(2)15-19)20-13-14-23-22(25-20)24-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m0/s1
InChIKeyZQGFBKWNEQRAPD-KRWDZBQOSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-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-(pyridin-2-yl)benzamide
CID 219990
Piketoprofen
CID 68801
4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
3-(2-(2-aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11545702
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16109016
N-Cyclopropyl-4-Methyl-3-[8-Methyl-7-Oxo-2-(Tetrahydro-2h-Pyran-4-Ylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]benzamide
CID 25016226
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389180
4-[(3-{[4-(Pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132953

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The IUPAC name of N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (CID 46886533) is N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The InChIKey is ZQGFBKWNEQRAPD-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(21(27)19-12-8-9-16(2)15-19)20-13-14-23-22(25-20)24-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m0/s1.
What are the key properties of N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 46886533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).