N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride

C17H19ClN6OS — CID 119516362

IUPACN-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)C2CCCN(c3ncnc4sccc34)C2)cn1
InChIInChI=1S/C17H18N6OS.ClH/c18-14-4-3-12(8-19-14)22-16(24)11-2-1-6-23(9-11)15-13-5-7-25-17(13)21-10-20-15;/h3-5,7-8,10-11H,1-2,6,9H2,(H2,18,19)(H,22,24);1H
InChIKeyZKQMQWTXEHFUJN-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.95
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride

N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119516362) has the molecular formula C17H19ClN6OS and a molecular weight of 390.90 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119516362
Molecular FormulaC17H19ClN6OS
Molecular Weight390.90 g/mol
Exact Mass390.10
IUPAC NameN-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)C2CCCN(c3ncnc4sccc34)C2)cn1
InChIInChI=1S/C17H18N6OS.ClH/c18-14-4-3-12(8-19-14)22-16(24)11-2-1-6-23(9-11)15-13-5-7-25-17(13)21-10-20-15;/h3-5,7-8,10-11H,1-2,6,9H2,(H2,18,19)(H,22,24);1H
InChIKeyZKQMQWTXEHFUJN-UHFFFAOYSA-N
XLogP2.95
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(4-aminophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 167778225
N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119499104
(3S)-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 124882523
2-[2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 119353221
(2R)-3-methyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119369272
4-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119352886
N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119668283
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methanone;hydrochloride
CID 119541949
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525
N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 120555723
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (CID 119516362) is N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is Cl.Nc1ccc(NC(=O)C2CCCN(c3ncnc4sccc34)C2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ZKQMQWTXEHFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS.ClH/c18-14-4-3-12(8-19-14)22-16(24)11-2-1-6-23(9-11)15-13-5-7-25-17(13)21-10-20-15;/h3-5,7-8,10-11H,1-2,6,9H2,(H2,18,19)(H,22,24);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 390.90 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119516362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).