N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

C17H19N3O2S — CID 90521319

IUPACN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-16(15-4-2-10-23-15)19-11-13-5-8-20(9-6-13)17(22)14-3-1-7-18-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,21)
InChIKeySNBUTXHTTJPOGB-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.43
Rot. Bonds4

About N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 90521319) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID90521319
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-16(15-4-2-10-23-15)19-11-13-5-8-20(9-6-13)17(22)14-3-1-7-18-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,21)
InChIKeySNBUTXHTTJPOGB-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 90521319) is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cccs1.
What is the InChIKey of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is SNBUTXHTTJPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(15-4-2-10-23-15)19-11-13-5-8-20(9-6-13)17(22)14-3-1-7-18-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,21).
What are the key properties of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 90521319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).