N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

C21H24N4O — CID 126447505

IUPACN-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3nccn3C)cc2)c1
InChIInChI=1S/C21H24N4O/c1-15-9-10-22-19(13-15)14-16(2)25(4)21(26)18-7-5-17(6-8-18)20-23-11-12-24(20)3/h5-13,16H,14H2,1-4H3/t16-/m1/s1
InChIKeyCFCQRUAULDNQNL-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.49
Rot. Bonds5

About N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 126447505) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
PubChem CID126447505
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3nccn3C)cc2)c1
InChIInChI=1S/C21H24N4O/c1-15-9-10-22-19(13-15)14-16(2)25(4)21(26)18-7-5-17(6-8-18)20-23-11-12-24(20)3/h5-13,16H,14H2,1-4H3/t16-/m1/s1
InChIKeyCFCQRUAULDNQNL-MRXNPFEDSA-N
XLogP3.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1-methylimidazol-2-yl)-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 119071482
N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447987
N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126443393
N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 122571286
4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126440979
3-hydroxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 47000342
N,1-dimethyl-3-(2-methylpropyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-5-carboxamide
CID 96579908
3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 118767981
N,1-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]indazole-3-carboxamide
CID 46996222
N,3-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 46997117
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The IUPAC name of N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 126447505) is N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The canonical SMILES for N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3nccn3C)cc2)c1.
What is the InChIKey of N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The InChIKey is CFCQRUAULDNQNL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-9-10-22-19(13-15)14-16(2)25(4)21(26)18-7-5-17(6-8-18)20-23-11-12-24(20)3/h5-13,16H,14H2,1-4H3/t16-/m1/s1.
What are the key properties of N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 126447505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).