2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

C19H20N6O2 — CID 70708622

IUPAC2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCCc3nc4ccccc4o3)cnc21
InChIInChI=1S/C19H20N6O2/c1-2-25-17-14(24-19(25)20)10-12(11-22-17)18(26)21-9-5-8-16-23-13-6-3-4-7-15(13)27-16/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H2,20,24)(H,21,26)
InChIKeyGKDVTIBTXBOUEW-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.54
Rot. Bonds6

About 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70708622) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70708622
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCCc3nc4ccccc4o3)cnc21
InChIInChI=1S/C19H20N6O2/c1-2-25-17-14(24-19(25)20)10-12(11-22-17)18(26)21-9-5-8-16-23-13-6-3-4-7-15(13)27-16/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H2,20,24)(H,21,26)
InChIKeyGKDVTIBTXBOUEW-UHFFFAOYSA-N
XLogP2.54
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-ethyl-N-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70723115
2-amino-3-ethyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70775936
2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70738438
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70735988
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70721834
2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70739374
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70780672
2-amino-3-ethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70713455
2-amino-3-ethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70784602
2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70738655
2-amino-3-ethyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70704639
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70708622) is 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCCCc3nc4ccccc4o3)cnc21.
What is the InChIKey of 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GKDVTIBTXBOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-2-25-17-14(24-19(25)20)10-12(11-22-17)18(26)21-9-5-8-16-23-13-6-3-4-7-15(13)27-16/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H2,20,24)(H,21,26).
What are the key properties of 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70708622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).