2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C22H20N4O3 — CID 10475365

IUPAC2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1cc2c(cc1OC)Oc1nc(N)c(C#N)c(NCc3ccccc3)c1C2
InChIInChI=1S/C22H20N4O3/c1-27-18-9-14-8-15-20(25-12-13-6-4-3-5-7-13)16(11-23)21(24)26-22(15)29-17(14)10-19(18)28-2/h3-7,9-10H,8,12H2,1-2H3,(H3,24,25,26)
InChIKeyYZVCVXDBWVZMTQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.86
Rot. Bonds5

About 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 10475365) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID10475365
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1cc2c(cc1OC)Oc1nc(N)c(C#N)c(NCc3ccccc3)c1C2
InChIInChI=1S/C22H20N4O3/c1-27-18-9-14-8-15-20(25-12-13-6-4-3-5-7-13)16(11-23)21(24)26-22(15)29-17(14)10-19(18)28-2/h3-7,9-10H,8,12H2,1-2H3,(H3,24,25,26)
InChIKeyYZVCVXDBWVZMTQ-UHFFFAOYSA-N
XLogP3.86
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 9821424
6-[2-(4-Cyanoanilino)-6-(ethylamino)pyrimidin-4-yl]oxy-5,7-dimethoxynaphthalene-2-carbonitrile
CID 166626111
6-[2-(4-Cyanoanilino)-6-(pentylamino)pyrimidin-4-yl]oxy-5,7-dimethoxynaphthalene-2-carbonitrile
CID 166627314
6-[2-(4-Cyanoanilino)-6-(propylamino)pyrimidin-4-yl]oxy-5,7-dimethoxynaphthalene-2-carbonitrile
CID 166628088
6-[6-(Butylamino)-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-5,7-dimethoxynaphthalene-2-carbonitrile
CID 166631134
2,4-diamino-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 9821423
2-(2,4-diamino-3-cyano-7-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)propanedinitrile
CID 2807471
2-Amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 16443843
2,4-diamino-7,8-dimethoxy-5-(4-methoxyphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 155805750
2,4-diamino-7,8-dimethoxy-5-(4-methylsulfanylphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 155810793
2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 91973282
2,4-Diamino-8-hydroxy-5-pentyl-5h-chromeno-[2,3-b]pyridine-3-carbonitrile
CID 129757509

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 10475365) is 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is COc1cc2c(cc1OC)Oc1nc(N)c(C#N)c(NCc3ccccc3)c1C2.
What is the InChIKey of 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is YZVCVXDBWVZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-27-18-9-14-8-15-20(25-12-13-6-4-3-5-7-13)16(11-23)21(24)26-22(15)29-17(14)10-19(18)28-2/h3-7,9-10H,8,12H2,1-2H3,(H3,24,25,26).
What are the key properties of 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 388.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(benzylamino)-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10475365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).