N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide

C18H19N3O2S — CID 156601651

IUPACN-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)N1CC2CC1CC2NC(=O)c1cccnc1
InChIInChI=1S/C18H19N3O2S/c1-11-4-6-24-16(11)18(23)21-10-13-7-14(21)8-15(13)20-17(22)12-3-2-5-19-9-12/h2-6,9,13-15H,7-8,10H2,1H3,(H,20,22)
InChIKeyUSBXAKBITQSAQQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.48
Rot. Bonds3

About N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide

N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide (PubChem CID 156601651) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
PubChem CID156601651
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)N1CC2CC1CC2NC(=O)c1cccnc1
InChIInChI=1S/C18H19N3O2S/c1-11-4-6-24-16(11)18(23)21-10-13-7-14(21)8-15(13)20-17(22)12-3-2-5-19-9-12/h2-6,9,13-15H,7-8,10H2,1H3,(H,20,22)
InChIKeyUSBXAKBITQSAQQ-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide (CID 156601651) is N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide is Cc1ccsc1C(=O)N1CC2CC1CC2NC(=O)c1cccnc1.
What is the InChIKey of N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
The InChIKey is USBXAKBITQSAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-4-6-24-16(11)18(23)21-10-13-7-14(21)8-15(13)20-17(22)12-3-2-5-19-9-12/h2-6,9,13-15H,7-8,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156601651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).