N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide

C19H26N4O2S — CID 45231752

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(OCC3(C)CCCNC3)nc2)n1
InChIInChI=1S/C19H26N4O2S/c1-3-15-11-26-17(23-15)10-22-18(24)14-5-6-16(21-9-14)25-13-19(2)7-4-8-20-12-19/h5-6,9,11,20H,3-4,7-8,10,12-13H2,1-2H3,(H,22,24)
InChIKeyIQCRWFGTHWVCJM-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.80
Rot. Bonds7

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide (PubChem CID 45231752) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide
PubChem CID45231752
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(OCC3(C)CCCNC3)nc2)n1
InChIInChI=1S/C19H26N4O2S/c1-3-15-11-26-17(23-15)10-22-18(24)14-5-6-16(21-9-14)25-13-19(2)7-4-8-20-12-19/h5-6,9,11,20H,3-4,7-8,10,12-13H2,1-2H3,(H,22,24)
InChIKeyIQCRWFGTHWVCJM-UHFFFAOYSA-N
XLogP2.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide (CID 45231752) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide is CCc1csc(CNC(=O)c2ccc(OCC3(C)CCCNC3)nc2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is IQCRWFGTHWVCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-3-15-11-26-17(23-15)10-22-18(24)14-5-6-16(21-9-14)25-13-19(2)7-4-8-20-12-19/h5-6,9,11,20H,3-4,7-8,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methylpiperidin-3-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 45231752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).