N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C21H22N4O2 — CID 74238214

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCOC[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2cccnc2)nc1C
InChIInChI=1S/C21H22N4O2/c1-15-19(13-23-20(24-15)17-9-6-10-22-12-17)21(26)25-18(14-27-2)11-16-7-4-3-5-8-16/h3-10,12-13,18H,11,14H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyUSRCTGTUSKZVRT-SFHVURJKSA-N
MW362.43 g/mol
LogP2.83
Rot. Bonds7

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 74238214) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID74238214
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCOC[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2cccnc2)nc1C
InChIInChI=1S/C21H22N4O2/c1-15-19(13-23-20(24-15)17-9-6-10-22-12-17)21(26)25-18(14-27-2)11-16-7-4-3-5-8-16/h3-10,12-13,18H,11,14H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyUSRCTGTUSKZVRT-SFHVURJKSA-N
XLogP2.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide 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

4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 58784591
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 69122538
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274
4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
CID 59199969
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131910795
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 74238214) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is COC[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2cccnc2)nc1C.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is USRCTGTUSKZVRT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-19(13-23-20(24-15)17-9-6-10-22-12-17)21(26)25-18(14-27-2)11-16-7-4-3-5-8-16/h3-10,12-13,18H,11,14H2,1-2H3,(H,25,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74238214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).