1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C16H18N4O3S — CID 47067016

IUPAC1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)cn1
InChIInChI=1S/C16H18N4O3S/c1-23-13-5-4-11(9-18-13)15(22)20-7-2-3-12(10-20)14(21)19-16-17-6-8-24-16/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,17,19,21)
InChIKeyQPIDTMIMCQTRSN-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.04
Rot. Bonds4

About 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 47067016) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID47067016
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)cn1
InChIInChI=1S/C16H18N4O3S/c1-23-13-5-4-11(9-18-13)15(22)20-7-2-3-12(10-20)14(21)19-16-17-6-8-24-16/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,17,19,21)
InChIKeyQPIDTMIMCQTRSN-UHFFFAOYSA-N
XLogP2.04
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 47067016) is 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)cn1.
What is the InChIKey of 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QPIDTMIMCQTRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-23-13-5-4-11(9-18-13)15(22)20-7-2-3-12(10-20)14(21)19-16-17-6-8-24-16/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,17,19,21).
What are the key properties of 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47067016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).