2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C22H21N3O3 — CID 121363587

IUPAC2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)OCc2cnc(N)cc2-3)c1
InChIInChI=1S/C22H21N3O3/c1-13(14-4-3-5-17(8-14)27-2)25-22(26)15-6-7-18-19-10-21(23)24-11-16(19)12-28-20(18)9-15/h3-11,13H,12H2,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1
InChIKeyXKYHEEDQYJPDIQ-CYBMUJFWSA-N
MW375.43 g/mol
LogP3.72
Rot. Bonds4

About 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363587) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363587
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)OCc2cnc(N)cc2-3)c1
InChIInChI=1S/C22H21N3O3/c1-13(14-4-3-5-17(8-14)27-2)25-22(26)15-6-7-18-19-10-21(23)24-11-16(19)12-28-20(18)9-15/h3-11,13H,12H2,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1
InChIKeyXKYHEEDQYJPDIQ-CYBMUJFWSA-N
XLogP3.72
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363587) is 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)OCc2cnc(N)cc2-3)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is XKYHEEDQYJPDIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13(14-4-3-5-17(8-14)27-2)25-22(26)15-6-7-18-19-10-21(23)24-11-16(19)12-28-20(18)9-15/h3-11,13H,12H2,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).