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

C23H25N3O — CID 126447987

IUPACN-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3ccncc3C)cc2)c1
InChIInChI=1S/C23H25N3O/c1-16-9-12-25-21(13-16)14-18(3)26(4)23(27)20-7-5-19(6-8-20)22-10-11-24-15-17(22)2/h5-13,15,18H,14H2,1-4H3/t18-/m1/s1
InChIKeyIZBQEAOKMPUJQQ-GOSISDBHSA-N
MW359.47 g/mol
LogP4.46
Rot. Bonds5

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

N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 126447987) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
PubChem CID126447987
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3ccncc3C)cc2)c1
InChIInChI=1S/C23H25N3O/c1-16-9-12-25-21(13-16)14-18(3)26(4)23(27)20-7-5-19(6-8-20)22-10-11-24-15-17(22)2/h5-13,15,18H,14H2,1-4H3/t18-/m1/s1
InChIKeyIZBQEAOKMPUJQQ-GOSISDBHSA-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The IUPAC name of N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 126447987) is N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The canonical SMILES for N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(-c3ccncc3C)cc2)c1.
What is the InChIKey of N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The InChIKey is IZBQEAOKMPUJQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-9-12-25-21(13-16)14-18(3)26(4)23(27)20-7-5-19(6-8-20)22-10-11-24-15-17(22)2/h5-13,15,18H,14H2,1-4H3/t18-/m1/s1.
What are the key properties of N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-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-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 126447987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).