6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile

C19H19N5O2 — CID 17395036

IUPAC6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C19H19N5O2/c1-13-9-18(25)22-15-5-3-4-6-16(15)24(13)19(26)12-23(2)17-8-7-14(10-20)11-21-17/h3-8,11,13H,9,12H2,1-2H3,(H,22,25)
InChIKeyMRCCNFAVDLKJIG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.15
Rot. Bonds3

About 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile

6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile (PubChem CID 17395036) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
PubChem CID17395036
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C19H19N5O2/c1-13-9-18(25)22-15-5-3-4-6-16(15)24(13)19(26)12-23(2)17-8-7-14(10-20)11-21-17/h3-8,11,13H,9,12H2,1-2H3,(H,22,25)
InChIKeyMRCCNFAVDLKJIG-UHFFFAOYSA-N
XLogP2.15
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile (CID 17395036) is 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile is CC1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
The InChIKey is MRCCNFAVDLKJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-18(25)22-15-5-3-4-6-16(15)24(13)19(26)12-23(2)17-8-7-14(10-20)11-21-17/h3-8,11,13H,9,12H2,1-2H3,(H,22,25).
What are the key properties of 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 17395036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).