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

C15H21N5OS — CID 70746239

IUPAC2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)N(C)C3CCSCC3)cnc21
InChIInChI=1S/C15H21N5OS/c1-3-20-13-12(18-15(20)16)8-10(9-17-13)14(21)19(2)11-4-6-22-7-5-11/h8-9,11H,3-7H2,1-2H3,(H2,16,18)
InChIKeyLBUBUFVLFMNEGJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.00
Rot. Bonds3

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

2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70746239) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70746239
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)N(C)C3CCSCC3)cnc21
InChIInChI=1S/C15H21N5OS/c1-3-20-13-12(18-15(20)16)8-10(9-17-13)14(21)19(2)11-4-6-22-7-5-11/h8-9,11H,3-7H2,1-2H3,(H2,16,18)
InChIKeyLBUBUFVLFMNEGJ-UHFFFAOYSA-N
XLogP2.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 70746239) is 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)N(C)C3CCSCC3)cnc21.
What is the InChIKey of 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is LBUBUFVLFMNEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-3-20-13-12(18-15(20)16)8-10(9-17-13)14(21)19(2)11-4-6-22-7-5-11/h8-9,11H,3-7H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-N-methyl-N-(thian-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70746239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).