N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H19N3O3 — CID 121363764

IUPACN-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc3c(c2)OCc2cnccc2-3)n1
InChIInChI=1S/C21H19N3O3/c1-13(18-4-3-5-20(24-18)26-2)23-21(25)14-6-7-17-16-8-9-22-11-15(16)12-27-19(17)10-14/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyAEVCWYWUPQHFFI-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.54
Rot. Bonds4

About N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363764) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363764
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc3c(c2)OCc2cnccc2-3)n1
InChIInChI=1S/C21H19N3O3/c1-13(18-4-3-5-20(24-18)26-2)23-21(25)14-6-7-17-16-8-9-22-11-15(16)12-27-19(17)10-14/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyAEVCWYWUPQHFFI-UHFFFAOYSA-N
XLogP3.54
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363764) is N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is COc1cccc(C(C)NC(=O)c2ccc3c(c2)OCc2cnccc2-3)n1.
What is the InChIKey of N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is AEVCWYWUPQHFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13(18-4-3-5-20(24-18)26-2)23-21(25)14-6-7-17-16-8-9-22-11-15(16)12-27-19(17)10-14/h3-11,13H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxy-2-pyridinyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).