N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C21H26N4O3S — CID 71841712

IUPACN-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)cn1
InChIInChI=1S/C21H26N4O3S/c1-28-18-7-6-15(11-23-18)21(27)25-10-2-3-16(12-25)20-24-17(13-29-20)8-9-22-19(26)14-4-5-14/h6-7,11,13-14,16H,2-5,8-10,12H2,1H3,(H,22,26)
InChIKeyBCDBDRCCDDIRER-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.64
Rot. Bonds7

About N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841712) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841712
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)cn1
InChIInChI=1S/C21H26N4O3S/c1-28-18-7-6-15(11-23-18)21(27)25-10-2-3-16(12-25)20-24-17(13-29-20)8-9-22-19(26)14-4-5-14/h6-7,11,13-14,16H,2-5,8-10,12H2,1H3,(H,22,26)
InChIKeyBCDBDRCCDDIRER-UHFFFAOYSA-N
XLogP2.64
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841712) is N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is COc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)cn1.
What is the InChIKey of N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is BCDBDRCCDDIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-28-18-7-6-15(11-23-18)21(27)25-10-2-3-16(12-25)20-24-17(13-29-20)8-9-22-19(26)14-4-5-14/h6-7,11,13-14,16H,2-5,8-10,12H2,1H3,(H,22,26).
What are the key properties of N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).