N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

C23H25N3O — CID 126443393

IUPACN-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@H](C)N(C)C(=O)c2cccc(-c3cc(C)ccn3)c2)c1
InChIInChI=1S/C23H25N3O/c1-16-8-10-24-21(12-16)14-18(3)26(4)23(27)20-7-5-6-19(15-20)22-13-17(2)9-11-25-22/h5-13,15,18H,14H2,1-4H3/t18-/m0/s1
InChIKeyKQICYLLWPAFZHK-SFHVURJKSA-N
MW359.47 g/mol
LogP4.46
Rot. Bonds5

About N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 126443393) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
PubChem CID126443393
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@H](C)N(C)C(=O)c2cccc(-c3cc(C)ccn3)c2)c1
InChIInChI=1S/C23H25N3O/c1-16-8-10-24-21(12-16)14-18(3)26(4)23(27)20-7-5-6-19(15-20)22-13-17(2)9-11-25-22/h5-13,15,18H,14H2,1-4H3/t18-/m0/s1
InChIKeyKQICYLLWPAFZHK-SFHVURJKSA-N
XLogP4.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 118767981
N-methyl-4-(1-methylimidazol-2-yl)-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 119071482
N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447505
3-hydroxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 47000342
N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 122571286
N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447987
N,3-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 46997117
N,N-dimethyl-3-[methyl-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]sulfamoyl]benzamide
CID 99949110
4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126440979
N,1-dimethyl-3-(2-methylpropyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-5-carboxamide
CID 96579908
N,1-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]indazole-3-carboxamide
CID 46996222
1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
CID 97144985

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The IUPAC name of N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 126443393) is N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The canonical SMILES for N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is Cc1ccnc(C[C@H](C)N(C)C(=O)c2cccc(-c3cc(C)ccn3)c2)c1.
What is the InChIKey of N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The InChIKey is KQICYLLWPAFZHK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-8-10-24-21(12-16)14-18(3)26(4)23(27)20-7-5-6-19(15-20)22-13-17(2)9-11-25-22/h5-13,15,18H,14H2,1-4H3/t18-/m0/s1.
What are the key properties of N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 126443393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).