2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C21H25N5O2 — CID 23475734

IUPAC2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCN(C)C)C(c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C21H25N5O2/c1-4-6-15-11-17-19(21(27)26(15)10-9-25(2)3)18(14-7-5-8-24-13-14)16(12-22)20(23)28-17/h5,7-8,11,13,18H,4,6,9-10,23H2,1-3H3
InChIKeyJVOIVZAXWSWESG-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.98
Rot. Bonds6

About 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475734) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475734
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCN(C)C)C(c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C21H25N5O2/c1-4-6-15-11-17-19(21(27)26(15)10-9-25(2)3)18(14-7-5-8-24-13-14)16(12-22)20(23)28-17/h5,7-8,11,13,18H,4,6,9-10,23H2,1-3H3
InChIKeyJVOIVZAXWSWESG-UHFFFAOYSA-N
XLogP1.98
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475741
2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
CID 7006805
2-amino-7-methyl-5-oxo-4-pyridin-3-yl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751699
2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475609
2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475716
methyl 2-amino-6-ethyl-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475843
(4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1418475
2-amino-6-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3773637
2-amino-6-methyl-4-(4-nitrophenyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475586
2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475710
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475711
methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate
CID 23475691

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 23475734) is 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCCc1cc2c(c(=O)n1CCN(C)C)C(c1cccnc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is JVOIVZAXWSWESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-6-15-11-17-19(21(27)26(15)10-9-25(2)3)18(14-7-5-8-24-13-14)16(12-22)20(23)28-17/h5,7-8,11,13,18H,4,6,9-10,23H2,1-3H3.
What are the key properties of 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 379.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).