(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile

C16H16N4O — CID 703560

IUPAC(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile
SMILESCC(C)(C)C1=C(C#N)[C@H](c2cccnc2)C(C#N)=C(N)O1
InChIInChI=1S/C16H16N4O/c1-16(2,3)14-11(7-17)13(10-5-4-6-20-9-10)12(8-18)15(19)21-14/h4-6,9,13H,19H2,1-3H3/t13-/m0/s1
InChIKeyHCMFSJBNIXNKEC-ZDUSSCGKSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds1

About (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile

(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile (PubChem CID 703560) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile
PubChem CID703560
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile
SMILESCC(C)(C)C1=C(C#N)[C@H](c2cccnc2)C(C#N)=C(N)O1
InChIInChI=1S/C16H16N4O/c1-16(2,3)14-11(7-17)13(10-5-4-6-20-9-10)12(8-18)15(19)21-14/h4-6,9,13H,19H2,1-3H3/t13-/m0/s1
InChIKeyHCMFSJBNIXNKEC-ZDUSSCGKSA-N
XLogP2.71
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

tert-butyl 6-amino-5-cyano-2-methyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 5236789
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130
2,6-diamino-4-pyridin-3-yl-4H-thiopyran-3,5-dicarbonitrile
CID 604802
2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 3137559
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
(4R)-6-amino-4-pyridin-3-yl-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 676000
2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 4007247
(4R,7S)-2-amino-7-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 765477
5-amino-7-pyridin-3-yl-2-(trifluoromethyl)-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile
CID 3314295
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
(4S)-6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 728973

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile?
The IUPAC name of (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile (CID 703560) is (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile.
What is the SMILES notation for (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile?
The canonical SMILES for (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile is CC(C)(C)C1=C(C#N)[C@H](c2cccnc2)C(C#N)=C(N)O1.
What is the InChIKey of (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile?
The InChIKey is HCMFSJBNIXNKEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N4O/c1-16(2,3)14-11(7-17)13(10-5-4-6-20-9-10)12(8-18)15(19)21-14/h4-6,9,13H,19H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile?
(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile is sourced from PubChem (CID 703560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).