6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine

C20H20N6 — CID 154700828

IUPAC6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine
SMILESCC1(c2cccc(N)n2)CC(c2cccc(N)n2)=Nc2ccccc2N1
InChIInChI=1S/C20H20N6/c1-20(17-9-5-11-19(22)25-17)12-16(14-8-4-10-18(21)24-14)23-13-6-2-3-7-15(13)26-20/h2-11,26H,12H2,1H3,(H2,21,24)(H2,22,25)
InChIKeyGKEIYPQTHUZNTG-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.49
Rot. Bonds2

About 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine

6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine (PubChem CID 154700828) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine
PubChem CID154700828
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine
SMILESCC1(c2cccc(N)n2)CC(c2cccc(N)n2)=Nc2ccccc2N1
InChIInChI=1S/C20H20N6/c1-20(17-9-5-11-19(22)25-17)12-16(14-8-4-10-18(21)24-14)23-13-6-2-3-7-15(13)26-20/h2-11,26H,12H2,1H3,(H2,21,24)(H2,22,25)
InChIKeyGKEIYPQTHUZNTG-UHFFFAOYSA-N
XLogP3.49
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine
CID 86022049
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[4-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-2-methyl-1,3-dihydro-1,5-benzodiazepin-2-yl]-2-pyridinyl]ethanimine
CID 102079555
2,4-bis(4-chlorophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11291964
(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 95241454
2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 13223241
1,3,7-trimethyl-6-[2-methyl-2-(1,3,7-trimethyl-2,4-dioxopteridin-6-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pteridine-2,4-dione
CID 132532820
2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine
CID 102146713
2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11458601
spiro[4H-quinoxaline-3,3'-oxetane]-2-amine
CID 145079272
spiro[4H-quinoxaline-3,3'-thietane]-2-amine;1,3-xylene
CID 145079384
6-(2-aminophenyl)pyridin-2-amine
CID 102385576
8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine
CID 141414595

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine?
The IUPAC name of 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine (CID 154700828) is 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine.
What is the SMILES notation for 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine?
The canonical SMILES for 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine is CC1(c2cccc(N)n2)CC(c2cccc(N)n2)=Nc2ccccc2N1.
What is the InChIKey of 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine?
The InChIKey is GKEIYPQTHUZNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-20(17-9-5-11-19(22)25-17)12-16(14-8-4-10-18(21)24-14)23-13-6-2-3-7-15(13)26-20/h2-11,26H,12H2,1H3,(H2,21,24)(H2,22,25).
What are the key properties of 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine?
6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine is sourced from PubChem (CID 154700828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).