4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C19H22N4O2 — CID 154736410

IUPAC4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1ccnc(N(C)CC(=O)N2c3ccccc3NC(=O)CC2C)c1
InChIInChI=1S/C19H22N4O2/c1-13-8-9-20-17(10-13)22(3)12-19(25)23-14(2)11-18(24)21-15-6-4-5-7-16(15)23/h4-10,14H,11-12H2,1-3H3,(H,21,24)
InChIKeyIHDMNKJDQYZPEL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.59
Rot. Bonds3

About 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 154736410) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID154736410
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1ccnc(N(C)CC(=O)N2c3ccccc3NC(=O)CC2C)c1
InChIInChI=1S/C19H22N4O2/c1-13-8-9-20-17(10-13)22(3)12-19(25)23-14(2)11-18(24)21-15-6-4-5-7-16(15)23/h4-10,14H,11-12H2,1-3H3,(H,21,24)
InChIKeyIHDMNKJDQYZPEL-UHFFFAOYSA-N
XLogP2.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 154736410) is 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one is Cc1ccnc(N(C)CC(=O)N2c3ccccc3NC(=O)CC2C)c1.
What is the InChIKey of 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is IHDMNKJDQYZPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-8-9-20-17(10-13)22(3)12-19(25)23-14(2)11-18(24)21-15-6-4-5-7-16(15)23/h4-10,14H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 154736410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).