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N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride

C17H22Cl2N4O2S — CID 120555354

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1sccc1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C17H20N4O2S.2ClH/c1-11-10-19-8-4-13(11)20-17(23)15-14(5-9-24-15)21-16(22)12-2-6-18-7-3-12;;/h2-3,5-7,9,11,13,19H,4,8,10H2,1H3,(H,20,23)(H,21,22);2*1H
InChIKeyLFLRUTRQSWFACH-UHFFFAOYSA-N
MW417.36 g/mol
LogP2.97
Rot. Bonds4

About N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride

N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120555354) has the molecular formula C17H22Cl2N4O2S and a molecular weight of 417.36 g/mol. Its IUPAC name is N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
PubChem CID120555354
Molecular FormulaC17H22Cl2N4O2S
Molecular Weight417.36 g/mol
Exact Mass416.08
IUPAC NameN-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1sccc1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C17H20N4O2S.2ClH/c1-11-10-19-8-4-13(11)20-17(23)15-14(5-9-24-15)21-16(22)12-2-6-18-7-3-12;;/h2-3,5-7,9,11,13,19H,4,8,10H2,1H3,(H,20,23)(H,21,22);2*1H
InChIKeyLFLRUTRQSWFACH-UHFFFAOYSA-N
XLogP2.97
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride (CID 120555354) is N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride is CC1CNCCC1NC(=O)c1sccc1NC(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is LFLRUTRQSWFACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S.2ClH/c1-11-10-19-8-4-13(11)20-17(23)15-14(5-9-24-15)21-16(22)12-2-6-18-7-3-12;;/h2-3,5-7,9,11,13,19H,4,8,10H2,1H3,(H,20,23)(H,21,22);2*1H.
What are the key properties of N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 417.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120555354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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