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

C19H21N5O2 — CID 661775

IUPAC2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN(C)C)C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H21N5O2/c1-12-10-15-17(19(25)24(12)9-8-23(2)3)16(13-4-6-22-7-5-13)14(11-20)18(21)26-15/h4-7,10,16H,8-9,21H2,1-3H3
InChIKeyLGYWDFAAGOOUFO-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.33
Rot. Bonds4

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

2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 661775) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID661775
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN(C)C)C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H21N5O2/c1-12-10-15-17(19(25)24(12)9-8-23(2)3)16(13-4-6-22-7-5-13)14(11-20)18(21)26-15/h4-7,10,16H,8-9,21H2,1-3H3
InChIKeyLGYWDFAAGOOUFO-UHFFFAOYSA-N
XLogP1.33
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 661775) is 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccncc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is LGYWDFAAGOOUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-10-15-17(19(25)24(12)9-8-23(2)3)16(13-4-6-22-7-5-13)14(11-20)18(21)26-15/h4-7,10,16H,8-9,21H2,1-3H3.
What are the key properties of 2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 1.33, 4 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]-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 661775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).