1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride

C16H22ClN5OS — CID 120898680

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(Cc3cnc(N)s3)C2)n1.Cl
InChIInChI=1S/C16H21N5OS.ClH/c1-11-4-2-6-14(19-11)20-15(22)12-5-3-7-21(9-12)10-13-8-18-16(17)23-13;/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,17,18)(H,19,20,22);1H
InChIKeyDYQGANJULPFQQD-UHFFFAOYSA-N
MW367.91 g/mol
LogP2.70
Rot. Bonds4

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120898680) has the molecular formula C16H22ClN5OS and a molecular weight of 367.91 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120898680
Molecular FormulaC16H22ClN5OS
Molecular Weight367.91 g/mol
Exact Mass367.12
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(Cc3cnc(N)s3)C2)n1.Cl
InChIInChI=1S/C16H21N5OS.ClH/c1-11-4-2-6-14(19-11)20-15(22)12-5-3-7-21(9-12)10-13-8-18-16(17)23-13;/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,17,18)(H,19,20,22);1H
InChIKeyDYQGANJULPFQQD-UHFFFAOYSA-N
XLogP2.70
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.91
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94535153
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947
methyl 2-methyl-5-[[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 78903955
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 87008642
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60522958
1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813659

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride (CID 120898680) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride is Cc1cccc(NC(=O)C2CCCN(Cc3cnc(N)s3)C2)n1.Cl.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is DYQGANJULPFQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS.ClH/c1-11-4-2-6-14(19-11)20-15(22)12-5-3-7-21(9-12)10-13-8-18-16(17)23-13;/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,17,18)(H,19,20,22);1H.
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 367.91 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120898680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).