N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

C25H20N6O — CID 58344916

IUPACN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H20N6O/c26-22-20(8-4-14-27-22)23-30-21-9-5-15-28-24(21)31(23)19-12-10-17(11-13-19)16-29-25(32)18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)
InChIKeyRBDDOEXDQAPTRT-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.99
Rot. Bonds5

About N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (PubChem CID 58344916) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
PubChem CID58344916
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H20N6O/c26-22-20(8-4-14-27-22)23-30-21-9-5-15-28-24(21)31(23)19-12-10-17(11-13-19)16-29-25(32)18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)
InChIKeyRBDDOEXDQAPTRT-UHFFFAOYSA-N
XLogP3.99
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (CID 58344916) is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The InChIKey is RBDDOEXDQAPTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c26-22-20(8-4-14-27-22)23-30-21-9-5-15-28-24(21)31(23)19-12-10-17(11-13-19)16-29-25(32)18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58344916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).