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

C15H22N6O3S — CID 70762048

IUPAC2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cnc21
InChIInChI=1S/C15H22N6O3S/c1-3-21-13-12(19-15(21)16)8-10(9-17-13)14(22)18-11-4-6-20(7-5-11)25(2,23)24/h8-9,11H,3-7H2,1-2H3,(H2,16,19)(H,18,22)
InChIKeyIKDMDNMXGHGQKZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.19
Rot. Bonds4

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

2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70762048) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70762048
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cnc21
InChIInChI=1S/C15H22N6O3S/c1-3-21-13-12(19-15(21)16)8-10(9-17-13)14(22)18-11-4-6-20(7-5-11)25(2,23)24/h8-9,11H,3-7H2,1-2H3,(H2,16,19)(H,18,22)
InChIKeyIKDMDNMXGHGQKZ-UHFFFAOYSA-N
XLogP0.19
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 70762048) is 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cnc21.
What is the InChIKey of 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IKDMDNMXGHGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-3-21-13-12(19-15(21)16)8-10(9-17-13)14(22)18-11-4-6-20(7-5-11)25(2,23)24/h8-9,11H,3-7H2,1-2H3,(H2,16,19)(H,18,22).
What are the key properties of 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70762048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).