4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile

C20H23N3O2 — CID 171987398

IUPAC4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile
SMILESCC1(C)Cc2nc(C#N)c(-c3ccccc3)c(NCCCO)c2CO1
InChIInChI=1S/C20H23N3O2/c1-20(2)11-16-15(13-25-20)19(22-9-6-10-24)18(17(12-21)23-16)14-7-4-3-5-8-14/h3-5,7-8,24H,6,9-11,13H2,1-2H3,(H,22,23)
InChIKeyFNUIYWRFFRLXAM-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.27
Rot. Bonds5

About 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile

4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile (PubChem CID 171987398) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile
PubChem CID171987398
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile
SMILESCC1(C)Cc2nc(C#N)c(-c3ccccc3)c(NCCCO)c2CO1
InChIInChI=1S/C20H23N3O2/c1-20(2)11-16-15(13-25-20)19(22-9-6-10-24)18(17(12-21)23-16)14-7-4-3-5-8-14/h3-5,7-8,24H,6,9-11,13H2,1-2H3,(H,22,23)
InChIKeyFNUIYWRFFRLXAM-UHFFFAOYSA-N
XLogP3.27
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
CID 23739814
N-benzhydryl-2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 4518513
8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659403
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 752329
7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 658654
2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 86127467
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
pentyl 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetate
CID 4905660
N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
CID 12593747
2-[[7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide
CID 4870648
2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
CID 171987692
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 13359707

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile?
The IUPAC name of 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile (CID 171987398) is 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile is CC1(C)Cc2nc(C#N)c(-c3ccccc3)c(NCCCO)c2CO1.
What is the InChIKey of 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile?
The InChIKey is FNUIYWRFFRLXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2)11-16-15(13-25-20)19(22-9-6-10-24)18(17(12-21)23-16)14-7-4-3-5-8-14/h3-5,7-8,24H,6,9-11,13H2,1-2H3,(H,22,23).
What are the key properties of 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile?
4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 171987398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).