N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C19H16N2O2S — CID 121363821

IUPACN-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cs1
InChIInChI=1S/C19H16N2O2S/c1-12-6-13(11-24-12)8-21-19(22)14-2-3-17-16-4-5-20-9-15(16)10-23-18(17)7-14/h2-7,9,11H,8,10H2,1H3,(H,21,22)
InChIKeyJTPHRQRVFAJFJA-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.94
Rot. Bonds3

About N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363821) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363821
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cs1
InChIInChI=1S/C19H16N2O2S/c1-12-6-13(11-24-12)8-21-19(22)14-2-3-17-16-4-5-20-9-15(16)10-23-18(17)7-14/h2-7,9,11H,8,10H2,1H3,(H,21,22)
InChIKeyJTPHRQRVFAJFJA-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363821) is N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is Cc1cc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cs1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is JTPHRQRVFAJFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-12-6-13(11-24-12)8-21-19(22)14-2-3-17-16-4-5-20-9-15(16)10-23-18(17)7-14/h2-7,9,11H,8,10H2,1H3,(H,21,22).
What are the key properties of N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).