N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

C22H24N4O2 — CID 6539884

IUPACN,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESCN1Cc2cc(C(=O)N(C)Cc3cc4ccccc4n3C)ccc2NCC1=O
InChIInChI=1S/C22H24N4O2/c1-24-13-17-10-16(8-9-19(17)23-12-21(24)27)22(28)25(2)14-18-11-15-6-4-5-7-20(15)26(18)3/h4-11,23H,12-14H2,1-3H3
InChIKeyWOHJDBQRHPBJCQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.83
Rot. Bonds3

About N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (PubChem CID 6539884) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
PubChem CID6539884
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESCN1Cc2cc(C(=O)N(C)Cc3cc4ccccc4n3C)ccc2NCC1=O
InChIInChI=1S/C22H24N4O2/c1-24-13-17-10-16(8-9-19(17)23-12-21(24)27)22(28)25(2)14-18-11-15-6-4-5-7-20(15)26(18)3/h4-11,23H,12-14H2,1-3H3
InChIKeyWOHJDBQRHPBJCQ-UHFFFAOYSA-N
XLogP2.83
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (CID 6539884) is N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is CN1Cc2cc(C(=O)N(C)Cc3cc4ccccc4n3C)ccc2NCC1=O.
What is the InChIKey of N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The InChIKey is WOHJDBQRHPBJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-24-13-17-10-16(8-9-19(17)23-12-21(24)27)22(28)25(2)14-18-11-15-6-4-5-7-20(15)26(18)3/h4-11,23H,12-14H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is sourced from PubChem (CID 6539884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).