N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

C17H17N3O2S — CID 166261638

IUPACN-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CNCC2)c1cc2cnccc2o1
InChIInChI=1S/C17H17N3O2S/c1-10(14-6-12-8-18-5-3-13(12)22-14)20-17(21)15-7-11-2-4-19-9-16(11)23-15/h3,5-8,10,19H,2,4,9H2,1H3,(H,20,21)
InChIKeyPNAVCCSSAJYRSU-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.03
Rot. Bonds3

About N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 166261638) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
PubChem CID166261638
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CNCC2)c1cc2cnccc2o1
InChIInChI=1S/C17H17N3O2S/c1-10(14-6-12-8-18-5-3-13(12)22-14)20-17(21)15-7-11-2-4-19-9-16(11)23-15/h3,5-8,10,19H,2,4,9H2,1H3,(H,20,21)
InChIKeyPNAVCCSSAJYRSU-UHFFFAOYSA-N
XLogP3.03
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (CID 166261638) is N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is CC(NC(=O)c1cc2c(s1)CNCC2)c1cc2cnccc2o1.
What is the InChIKey of N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is PNAVCCSSAJYRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10(14-6-12-8-18-5-3-13(12)22-14)20-17(21)15-7-11-2-4-19-9-16(11)23-15/h3,5-8,10,19H,2,4,9H2,1H3,(H,20,21).
What are the key properties of N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-furo[3,2-c]pyridin-2-ylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166261638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).