2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium

C19H22N5O2+ — CID 7006805

IUPAC2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
SMILESCc1cc2c(c(=O)n1CC[NH+](C)C)[C@H](c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H21N5O2/c1-12-9-15-17(19(25)24(12)8-7-23(2)3)16(13-5-4-6-22-11-13)14(10-20)18(21)26-15/h4-6,9,11,16H,7-8,21H2,1-3H3/p+1/t16-/m1/s1
InChIKeyQXMPFCZTWUCZAP-MRXNPFEDSA-O
MW352.42 g/mol
LogP-0.09
Rot. Bonds4

About 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium

2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium (PubChem CID 7006805) has the molecular formula C19H22N5O2+ and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
PubChem CID7006805
Molecular FormulaC19H22N5O2+
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
SMILESCc1cc2c(c(=O)n1CC[NH+](C)C)[C@H](c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H21N5O2/c1-12-9-15-17(19(25)24(12)8-7-23(2)3)16(13-5-4-6-22-11-13)14(10-20)18(21)26-15/h4-6,9,11,16H,7-8,21H2,1-3H3/p+1/t16-/m1/s1
InChIKeyQXMPFCZTWUCZAP-MRXNPFEDSA-O
XLogP-0.09
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-amino-7-methyl-5-oxo-4-pyridin-3-yl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751699
(4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1418475
(4R)-2-amino-7-methyl-4-(4-methylphenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 51566983
2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475544
(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1424219
2-amino-7-methyl-4-(3-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3711077
2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475734
(4R)-2-amino-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1386642
2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4890713
2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661945
2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4893538
2-amino-4-(4-bromophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4895031

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium?
The IUPAC name of 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) is 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium is Cc1cc2c(c(=O)n1CC[NH+](C)C)[C@H](c1cccnc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium?
The InChIKey is QXMPFCZTWUCZAP-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H21N5O2/c1-12-9-15-17(19(25)24(12)8-7-23(2)3)16(13-5-4-6-22-11-13)14(10-20)18(21)26-15/h4-6,9,11,16H,7-8,21H2,1-3H3/p+1/t16-/m1/s1.
What are the key properties of 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium?
2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium has a molecular weight of 352.42 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium is sourced from PubChem (CID 7006805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).