2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

C20H26N6O — CID 70775936

IUPAC2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCN(C)CCc3ccccc3)cnc21
InChIInChI=1S/C20H26N6O/c1-3-26-18-17(24-20(26)21)13-16(14-23-18)19(27)22-10-12-25(2)11-9-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H2,21,24)(H,22,27)
InChIKeyQCPZQGALMLSYON-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.94
Rot. Bonds8

About 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70775936) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70775936
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCN(C)CCc3ccccc3)cnc21
InChIInChI=1S/C20H26N6O/c1-3-26-18-17(24-20(26)21)13-16(14-23-18)19(27)22-10-12-25(2)11-9-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H2,21,24)(H,22,27)
InChIKeyQCPZQGALMLSYON-UHFFFAOYSA-N
XLogP1.94
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 70775936) is 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCCN(C)CCc3ccccc3)cnc21.
What is the InChIKey of 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QCPZQGALMLSYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-26-18-17(24-20(26)21)13-16(14-23-18)19(27)22-10-12-25(2)11-9-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H2,21,24)(H,22,27).
What are the key properties of 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70775936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).