4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide

C19H21N5OS — CID 167750453

IUPAC4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccc(N4CCNCC4)cn3)sc2n1
InChIInChI=1S/C19H21N5OS/c1-12-9-13(2)22-19-15(12)10-16(26-19)18(25)23-17-4-3-14(11-21-17)24-7-5-20-6-8-24/h3-4,9-11,20H,5-8H2,1-2H3,(H,21,23,25)
InChIKeyISMHTMZRJAESLQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.97
Rot. Bonds3

About 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide

4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167750453) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID167750453
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccc(N4CCNCC4)cn3)sc2n1
InChIInChI=1S/C19H21N5OS/c1-12-9-13(2)22-19-15(12)10-16(26-19)18(25)23-17-4-3-14(11-21-17)24-7-5-20-6-8-24/h3-4,9-11,20H,5-8H2,1-2H3,(H,21,23,25)
InChIKeyISMHTMZRJAESLQ-UHFFFAOYSA-N
XLogP2.97
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494211
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 167808805
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
3-methyl-2-nitro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494185
4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 166238411
4,6-dimethyl-N-(1-piperidin-4-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 167818915
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide (CID 167750453) is 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3ccc(N4CCNCC4)cn3)sc2n1.
What is the InChIKey of 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ISMHTMZRJAESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-9-13(2)22-19-15(12)10-16(26-19)18(25)23-17-4-3-14(11-21-17)24-7-5-20-6-8-24/h3-4,9-11,20H,5-8H2,1-2H3,(H,21,23,25).
What are the key properties of 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?
4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167750453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).