N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide

C30H27N9O — CID 169055312

About N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide

N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide (PubChem CID 169055312) has the molecular formula C30H27N9O and a molecular weight of 529.61 g/mol. Its IUPAC name is N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide
• PubChem CID: 169055312
• Molecular Formula: C30H27N9O
• Molecular Weight: 529.61 g/mol
• Exact Mass: 529.23
• IUPAC Name: N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide
• SMILES: CC(=O)N(c1ccnc(C)c1)c1cnc2nc(-c3ccc(Nc4ccnc5ccc(N(C)C)cc45)nc3)[nH]c2c1
• InChI: InChI=1S/C30H27N9O/c1-18-13-22(9-11-31-18)39(19(2)40)23-15-27-30(34-17-23)37-29(36-27)20-5-8-28(33-16-20)35-26-10-12-32-25-7-6-21(38(3)4)14-24(25)26/h5-17H,1-4H3,(H,32,33,35)(H,34,36,37)
• InChIKey: WTQRSARQAVHBCI-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 115.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.61
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide?

The IUPAC name of N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide (CID 169055312) is N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide.

What is the SMILES notation for N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide?

The canonical SMILES for N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide is CC(=O)N(c1ccnc(C)c1)c1cnc2nc(-c3ccc(Nc4ccnc5ccc(N(C)C)cc45)nc3)[nH]c2c1.

What is the InChIKey of N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide?

The InChIKey is WTQRSARQAVHBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O/c1-18-13-22(9-11-31-18)39(19(2)40)23-15-27-30(34-17-23)37-29(36-27)20-5-8-28(33-16-20)35-26-10-12-32-25-7-6-21(38(3)4)14-24(25)26/h5-17H,1-4H3,(H,32,33,35)(H,34,36,37).

What are the key properties of N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide?

N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide has a molecular weight of 529.61 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[[6-(dimethylamino)quinolin-4-yl]amino]-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methyl-4-pyridinyl)acetamide is sourced from PubChem (CID 169055312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).