2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

C21H17N3O2 — CID 2839577

IUPAC2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1cccnc1
InChIInChI=1S/C21H17N3O2/c22-11-16-19(14-7-4-8-24-12-14)20-17(25)9-15(10-18(20)26-21(16)23)13-5-2-1-3-6-13/h1-8,12,15,19H,9-10,23H2
InChIKeyBPSSRMKDODSXFM-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.29
Rot. Bonds2

About 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2839577) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2839577
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1cccnc1
InChIInChI=1S/C21H17N3O2/c22-11-16-19(14-7-4-8-24-12-14)20-17(25)9-15(10-18(20)26-21(16)23)13-5-2-1-3-6-13/h1-8,12,15,19H,9-10,23H2
InChIKeyBPSSRMKDODSXFM-UHFFFAOYSA-N
XLogP3.29
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2839577) is 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1cccnc1.
What is the InChIKey of 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is BPSSRMKDODSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-11-16-19(14-7-4-8-24-12-14)20-17(25)9-15(10-18(20)26-21(16)23)13-5-2-1-3-6-13/h1-8,12,15,19H,9-10,23H2.
What are the key properties of 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2839577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).