3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol

C15H15ClN4O — CID 142255278

IUPAC3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol
SMILESCN1c2ccc(Cl)cc2C(c2cccnc2)=NC(N)C1O
InChIInChI=1S/C15H15ClN4O/c1-20-12-5-4-10(16)7-11(12)13(19-14(17)15(20)21)9-3-2-6-18-8-9/h2-8,14-15,21H,17H2,1H3
InChIKeyDADJYGTUYHMCQS-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.63
Rot. Bonds1

About 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol

3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol (PubChem CID 142255278) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol.

Molecular Properties

Compound Name3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol
PubChem CID142255278
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol
SMILESCN1c2ccc(Cl)cc2C(c2cccnc2)=NC(N)C1O
InChIInChI=1S/C15H15ClN4O/c1-20-12-5-4-10(16)7-11(12)13(19-14(17)15(20)21)9-3-2-6-18-8-9/h2-8,14-15,21H,17H2,1H3
InChIKeyDADJYGTUYHMCQS-UHFFFAOYSA-N
XLogP1.63
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol?
The IUPAC name of 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol (CID 142255278) is 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol.
What is the SMILES notation for 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol?
The canonical SMILES for 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol is CN1c2ccc(Cl)cc2C(c2cccnc2)=NC(N)C1O.
What is the InChIKey of 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol?
The InChIKey is DADJYGTUYHMCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-20-12-5-4-10(16)7-11(12)13(19-14(17)15(20)21)9-3-2-6-18-8-9/h2-8,14-15,21H,17H2,1H3.
What are the key properties of 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol?
3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol has a molecular weight of 302.77 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloro-1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-ol is sourced from PubChem (CID 142255278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).