N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

C16H13N5O2 — CID 121363835

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C16H13N5O2/c22-16(18-7-15-19-9-20-21-15)10-1-2-13-12-3-4-17-6-11(12)8-23-14(13)5-10/h1-6,9H,7-8H2,(H,18,22)(H,19,20,21)
InChIKeyPMWUPFDQEDWWSG-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.69
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363835) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363835
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C16H13N5O2/c22-16(18-7-15-19-9-20-21-15)10-1-2-13-12-3-4-17-6-11(12)8-23-14(13)5-10/h1-6,9H,7-8H2,(H,18,22)(H,19,20,21)
InChIKeyPMWUPFDQEDWWSG-UHFFFAOYSA-N
XLogP1.69
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363835) is N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1ncn[nH]1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is PMWUPFDQEDWWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c22-16(18-7-15-19-9-20-21-15)10-1-2-13-12-3-4-17-6-11(12)8-23-14(13)5-10/h1-6,9H,7-8H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).