3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide

C22H19N3O4 — CID 170181715

IUPAC3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2cc3c(cc2OCc2ccnc(N)c2)OCCC3=O)c1
InChIInChI=1S/C22H19N3O4/c23-21-8-13(4-6-25-21)12-29-19-11-20-17(18(26)5-7-28-20)10-16(19)14-2-1-3-15(9-14)22(24)27/h1-4,6,8-11H,5,7,12H2,(H2,23,25)(H2,24,27)
InChIKeyZYFXJVBSFPTMRE-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.97
Rot. Bonds5

About 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide

3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide (PubChem CID 170181715) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide.

Molecular Properties

Compound Name3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide
PubChem CID170181715
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2cc3c(cc2OCc2ccnc(N)c2)OCCC3=O)c1
InChIInChI=1S/C22H19N3O4/c23-21-8-13(4-6-25-21)12-29-19-11-20-17(18(26)5-7-28-20)10-16(19)14-2-1-3-15(9-14)22(24)27/h1-4,6,8-11H,5,7,12H2,(H2,23,25)(H2,24,27)
InChIKeyZYFXJVBSFPTMRE-UHFFFAOYSA-N
XLogP2.97
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
The IUPAC name of 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide (CID 170181715) is 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide.
What is the SMILES notation for 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
The canonical SMILES for 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide is NC(=O)c1cccc(-c2cc3c(cc2OCc2ccnc(N)c2)OCCC3=O)c1.
What is the InChIKey of 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
The InChIKey is ZYFXJVBSFPTMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c23-21-8-13(4-6-25-21)12-29-19-11-20-17(18(26)5-7-28-20)10-16(19)14-2-1-3-15(9-14)22(24)27/h1-4,6,8-11H,5,7,12H2,(H2,23,25)(H2,24,27).
What are the key properties of 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide has a molecular weight of 389.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(2-amino-4-pyridinyl)methoxy]-4-oxo-2,3-dihydrochromen-6-yl]benzamide is sourced from PubChem (CID 170181715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).