N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

C20H23N5OS — CID 42567771

IUPACN-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)s1
InChIInChI=1S/C20H23N5OS/c1-15-4-5-18(27-15)14-24-11-7-17(8-12-24)25-19(6-10-22-25)23-20(26)16-3-2-9-21-13-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H,23,26)
InChIKeyXTOHZMPQNCPOEL-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 42567771) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID42567771
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)s1
InChIInChI=1S/C20H23N5OS/c1-15-4-5-18(27-15)14-24-11-7-17(8-12-24)25-19(6-10-22-25)23-20(26)16-3-2-9-21-13-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H,23,26)
InChIKeyXTOHZMPQNCPOEL-UHFFFAOYSA-N
XLogP3.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42194902
N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 25375251
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
N-[2-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42593765
N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 25294061
N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 29028621
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
CID 42244504
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 24790682
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793147

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (CID 42567771) is N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)s1.
What is the InChIKey of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is XTOHZMPQNCPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15-4-5-18(27-15)14-24-11-7-17(8-12-24)25-19(6-10-22-25)23-20(26)16-3-2-9-21-13-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42567771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).