1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

C23H21ClN4O — CID 73292399

IUPAC1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(Cl)cc2)c2cc(-c3ccncc3)ccc2CC1C
InChIInChI=1S/C23H21ClN4O/c1-15-13-19-4-3-18(16-9-11-26-12-10-16)14-21(19)22(27-28(15)23(29)25-2)17-5-7-20(24)8-6-17/h3-12,14-15H,13H2,1-2H3,(H,25,29)
InChIKeyPZCXKAXTECSTJU-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.74
Rot. Bonds2

About 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (PubChem CID 73292399) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
PubChem CID73292399
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(Cl)cc2)c2cc(-c3ccncc3)ccc2CC1C
InChIInChI=1S/C23H21ClN4O/c1-15-13-19-4-3-18(16-9-11-26-12-10-16)14-21(19)22(27-28(15)23(29)25-2)17-5-7-20(24)8-6-17/h3-12,14-15H,13H2,1-2H3,(H,25,29)
InChIKeyPZCXKAXTECSTJU-UHFFFAOYSA-N
XLogP4.74
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-amino-1-(4-chlorophenyl)-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 90368394
1-(4-chlorophenyl)-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237470
1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73292397
1-(4-chlorophenyl)-N,4-dimethyl-8-(2-pyrrolidin-1-ylethoxy)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73292588
7-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-1-(4-chlorophenyl)-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 126706475
(4R)-1-(4-chlorophenyl)-6-fluoro-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118310173
7,8-dimethoxy-N,4-dimethyl-1-[4-(5-methyl-3-pyridinyl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73294171
7,8-dimethoxy-1-[4-(6-methoxy-3-pyridinyl)phenyl]-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73293607
N,4-dimethyl-1-(4-methylphenyl)-8-[(6-methyl-2-pyridinyl)methoxy]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 134249784
7,8-dimethoxy-N,4-dimethyl-1-[4-(2-methyl-3-pyridinyl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237517
7,8-dimethoxy-N,4-dimethyl-1-[4-(2-methylphenyl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73293792
7,8-dimethoxy-N,4-dimethyl-1-[4-(pyridazin-4-ylamino)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 86582704

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (CID 73292399) is 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is CNC(=O)N1N=C(c2ccc(Cl)cc2)c2cc(-c3ccncc3)ccc2CC1C.
What is the InChIKey of 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The InChIKey is PZCXKAXTECSTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-15-13-19-4-3-18(16-9-11-26-12-10-16)14-21(19)22(27-28(15)23(29)25-2)17-5-7-20(24)8-6-17/h3-12,14-15H,13H2,1-2H3,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is sourced from PubChem (CID 73292399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).