N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide

C27H25N5O3S — CID 143629915

About N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide

N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide (PubChem CID 143629915) has the molecular formula C27H25N5O3S and a molecular weight of 499.60 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide
• PubChem CID: 143629915
• Molecular Formula: C27H25N5O3S
• Molecular Weight: 499.60 g/mol
• Exact Mass: 499.17
• IUPAC Name: N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide
• SMILES: CC(C)C(=O)N(c1nncs1)c1cccc2c1Cc1ccc(-c3ccc(C(=O)N(C)C)cc3)nc1O2
• InChI: InChI=1S/C27H25N5O3S/c1-16(2)25(33)32(27-30-28-15-36-27)22-6-5-7-23-20(22)14-19-12-13-21(29-24(19)35-23)17-8-10-18(11-9-17)26(34)31(3)4/h5-13,15-16H,14H2,1-4H3
• InChIKey: YPHBCVVIIYVRCW-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 88.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.60
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide?

The IUPAC name of N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide (CID 143629915) is N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide.

What is the SMILES notation for N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide?

The canonical SMILES for N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide is CC(C)C(=O)N(c1nncs1)c1cccc2c1Cc1ccc(-c3ccc(C(=O)N(C)C)cc3)nc1O2.

What is the InChIKey of N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide?

The InChIKey is YPHBCVVIIYVRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3S/c1-16(2)25(33)32(27-30-28-15-36-27)22-6-5-7-23-20(22)14-19-12-13-21(29-24(19)35-23)17-8-10-18(11-9-17)26(34)31(3)4/h5-13,15-16H,14H2,1-4H3.

What are the key properties of N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide?

N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide has a molecular weight of 499.60 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[6-[2-methylpropanoyl(1,3,4-thiadiazol-2-yl)amino]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 143629915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).