N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

C26H28N4O2 — CID 134249784

IUPACN,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(C)cc2)c2cc(OCc3cccc(C)n3)ccc2CC1C
InChIInChI=1S/C26H28N4O2/c1-17-8-10-20(11-9-17)25-24-15-23(32-16-22-7-5-6-18(2)28-22)13-12-21(24)14-19(3)30(29-25)26(31)27-4/h5-13,15,19H,14,16H2,1-4H3,(H,27,31)
InChIKeyGNYJKIHRQCPBMA-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.62
Rot. Bonds4

About N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (PubChem CID 134249784) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
PubChem CID134249784
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(C)cc2)c2cc(OCc3cccc(C)n3)ccc2CC1C
InChIInChI=1S/C26H28N4O2/c1-17-8-10-20(11-9-17)25-24-15-23(32-16-22-7-5-6-18(2)28-22)13-12-21(24)14-19(3)30(29-25)26(31)27-4/h5-13,15,19H,14,16H2,1-4H3,(H,27,31)
InChIKeyGNYJKIHRQCPBMA-UHFFFAOYSA-N
XLogP4.62
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The IUPAC name of N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (CID 134249784) is N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The canonical SMILES for N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is CNC(=O)N1N=C(c2ccc(C)cc2)c2cc(OCc3cccc(C)n3)ccc2CC1C.
What is the InChIKey of N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The InChIKey is GNYJKIHRQCPBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17-8-10-20(11-9-17)25-24-15-23(32-16-22-7-5-6-18(2)28-22)13-12-21(24)14-19(3)30(29-25)26(31)27-4/h5-13,15,19H,14,16H2,1-4H3,(H,27,31).
What are the key properties of N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is sourced from PubChem (CID 134249784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).