3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide

C23H17N7OS — CID 71499197

IUPAC3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(C(=O)Nc4nncs4)c3)cc12
InChIInChI=1S/C23H17N7OS/c1-24-21-18-11-15(7-8-19(18)27-20(28-21)17-6-3-9-25-12-17)14-4-2-5-16(10-14)22(31)29-23-30-26-13-32-23/h2-13H,1H3,(H,24,27,28)(H,29,30,31)
InChIKeyOJGFCNXJURUDRY-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.50
Rot. Bonds5

About 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide

3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 71499197) has the molecular formula C23H17N7OS and a molecular weight of 439.50 g/mol. Its IUPAC name is 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID71499197
Molecular FormulaC23H17N7OS
Molecular Weight439.50 g/mol
Exact Mass439.12
IUPAC Name3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(C(=O)Nc4nncs4)c3)cc12
InChIInChI=1S/C23H17N7OS/c1-24-21-18-11-15(7-8-19(18)27-20(28-21)17-6-3-9-25-12-17)14-4-2-5-16(10-14)22(31)29-23-30-26-13-32-23/h2-13H,1H3,(H,24,27,28)(H,29,30,31)
InChIKeyOJGFCNXJURUDRY-UHFFFAOYSA-N
XLogP4.50
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
N-[6-(4-acetylphenyl)-2-pyridin-3-ylquinazolin-4-yl]acetamide
CID 71181229
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 29369713
1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
CID 157344313
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 135128099

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 71499197) is 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(C(=O)Nc4nncs4)c3)cc12.
What is the InChIKey of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OJGFCNXJURUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7OS/c1-24-21-18-11-15(7-8-19(18)27-20(28-21)17-6-3-9-25-12-17)14-4-2-5-16(10-14)22(31)29-23-30-26-13-32-23/h2-13H,1H3,(H,24,27,28)(H,29,30,31).
What are the key properties of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 439.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 71499197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).