2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile

C16H13N3O2 — CID 3137559

IUPAC2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESCc1c(O)ccc2c1OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C16H13N3O2/c1-9-13(20)5-4-11-14(10-3-2-6-19-8-10)12(7-17)16(18)21-15(9)11/h2-6,8,14,20H,18H2,1H3
InChIKeyGYWKBJWXPMFAJB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.31
Rot. Bonds1

About 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile

2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile (PubChem CID 3137559) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
PubChem CID3137559
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESCc1c(O)ccc2c1OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C16H13N3O2/c1-9-13(20)5-4-11-14(10-3-2-6-19-8-10)12(7-17)16(18)21-15(9)11/h2-6,8,14,20H,18H2,1H3
InChIKeyGYWKBJWXPMFAJB-UHFFFAOYSA-N
XLogP2.31
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 4007247
(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile
CID 703560
4-amino-11,13-dimethyl-6-pyridin-3-yl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-5-carbonitrile
CID 11838460
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130
tert-butyl 6-amino-5-cyano-2-methyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 5236789
(4R,7S)-2-amino-7-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 765477
2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 170836279
2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
CID 134110647
3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 2839492
(7R)-5-amino-2-propyl-7-pyridin-3-yl-1,7-dihydropyrano[2,3-d]imidazole-6-carbonitrile
CID 839953
(4R,7S)-2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 701196
2-amino-4-(5-bromo-3-pyridinyl)-4H-pyrano[2,3-f]isoquinoline-3-carbonitrile
CID 16735491

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile (CID 3137559) is 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile is Cc1c(O)ccc2c1OC(N)=C(C#N)C2c1cccnc1.
What is the InChIKey of 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The InChIKey is GYWKBJWXPMFAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-9-13(20)5-4-11-14(10-3-2-6-19-8-10)12(7-17)16(18)21-15(9)11/h2-6,8,14,20H,18H2,1H3.
What are the key properties of 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 3137559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).