8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one

C18H19N3O — CID 66486520

IUPAC8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)CC(c1cccnc1)=N2
InChIInChI=1S/C18H19N3O/c1-12(2)21-17-9-13(3)6-7-15(17)20-16(10-18(21)22)14-5-4-8-19-11-14/h4-9,11-12H,10H2,1-3H3
InChIKeyZNZSPPUDNHQANM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.66
Rot. Bonds2

About 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one

8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one (PubChem CID 66486520) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one
PubChem CID66486520
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)CC(c1cccnc1)=N2
InChIInChI=1S/C18H19N3O/c1-12(2)21-17-9-13(3)6-7-15(17)20-16(10-18(21)22)14-5-4-8-19-11-14/h4-9,11-12H,10H2,1-3H3
InChIKeyZNZSPPUDNHQANM-UHFFFAOYSA-N
XLogP3.66
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one (CID 66486520) is 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one is Cc1ccc2c(c1)N(C(C)C)C(=O)CC(c1cccnc1)=N2.
What is the InChIKey of 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
The InChIKey is ZNZSPPUDNHQANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)21-17-9-13(3)6-7-15(17)20-16(10-18(21)22)14-5-4-8-19-11-14/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-propan-2-yl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 66486520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).