N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide

C31H29N9O4 — CID 68873579

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide (PubChem CID 68873579) has the molecular formula C31H29N9O4 and a molecular weight of 591.63 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
• PubChem CID: 68873579
• Molecular Formula: C31H29N9O4
• Molecular Weight: 591.63 g/mol
• Exact Mass: 591.23
• IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2cccc(Oc3cc4c(cn3)nc(-c3nonc3N)n4-c3ccc(OCCN(C)C)cc3)c2)cn1
• InChI: InChI=1S/C31H29N9O4/c1-19-7-8-20(17-33-19)31(41)35-21-5-4-6-24(15-21)43-27-16-26-25(18-34-27)36-30(28-29(32)38-44-37-28)40(26)22-9-11-23(12-10-22)42-14-13-39(2)3/h4-12,15-18H,13-14H2,1-3H3,(H2,32,38)(H,35,41)
• InChIKey: JIRQAVKDROMKDU-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 159.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.63
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide (CID 68873579) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(Oc3cc4c(cn3)nc(-c3nonc3N)n4-c3ccc(OCCN(C)C)cc3)c2)cn1.

What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

The InChIKey is JIRQAVKDROMKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N9O4/c1-19-7-8-20(17-33-19)31(41)35-21-5-4-6-24(15-21)43-27-16-26-25(18-34-27)36-30(28-29(32)38-44-37-28)40(26)22-9-11-23(12-10-22)42-14-13-39(2)3/h4-12,15-18H,13-14H2,1-3H3,(H2,32,38)(H,35,41).

What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 591.63 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 68873579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).