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

C18H19N5O3 — CID 70735988

IUPAC2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCc3ccc4c(c3)OCO4)cnc21
InChIInChI=1S/C18H19N5O3/c1-2-23-16-13(22-18(23)19)8-12(9-21-16)17(24)20-6-5-11-3-4-14-15(7-11)26-10-25-14/h3-4,7-9H,2,5-6,10H2,1H3,(H2,19,22)(H,20,24)
InChIKeyQBDJPZJEKBNHBY-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.73
Rot. Bonds5

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

2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70735988) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70735988
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCc3ccc4c(c3)OCO4)cnc21
InChIInChI=1S/C18H19N5O3/c1-2-23-16-13(22-18(23)19)8-12(9-21-16)17(24)20-6-5-11-3-4-14-15(7-11)26-10-25-14/h3-4,7-9H,2,5-6,10H2,1H3,(H2,19,22)(H,20,24)
InChIKeyQBDJPZJEKBNHBY-UHFFFAOYSA-N
XLogP1.73
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-3-ethyl-N-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70723115
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CID 70738655
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
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CID 70704639
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
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N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2001714
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78816211
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78905048
3-[2-amino-1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-5-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70735988) is 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCCc3ccc4c(c3)OCO4)cnc21.
What is the InChIKey of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QBDJPZJEKBNHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-2-23-16-13(22-18(23)19)8-12(9-21-16)17(24)20-6-5-11-3-4-14-15(7-11)26-10-25-14/h3-4,7-9H,2,5-6,10H2,1H3,(H2,19,22)(H,20,24).
What are the key properties of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70735988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).