3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide

C18H20N6OS — CID 69365830

IUPAC3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(N3CCCN(c4cccnc4)CC3)c2c1N
InChIInChI=1S/C18H20N6OS/c19-15-14-13(4-6-22-18(14)26-16(15)17(20)25)24-8-2-7-23(9-10-24)12-3-1-5-21-11-12/h1,3-6,11H,2,7-10,19H2,(H2,20,25)
InChIKeyXNMUITGUMSRYHQ-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 69365830) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID69365830
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(N3CCCN(c4cccnc4)CC3)c2c1N
InChIInChI=1S/C18H20N6OS/c19-15-14-13(4-6-22-18(14)26-16(15)17(20)25)24-8-2-7-23(9-10-24)12-3-1-5-21-11-12/h1,3-6,11H,2,7-10,19H2,(H2,20,25)
InChIKeyXNMUITGUMSRYHQ-UHFFFAOYSA-N
XLogP2.09
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 69365830) is 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nccc(N3CCCN(c4cccnc4)CC3)c2c1N.
What is the InChIKey of 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XNMUITGUMSRYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-15-14-13(4-6-22-18(14)26-16(15)17(20)25)24-8-2-7-23(9-10-24)12-3-1-5-21-11-12/h1,3-6,11H,2,7-10,19H2,(H2,20,25).
What are the key properties of 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 69365830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).