2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid

C19H21F2N4O5P — CID 142908492

IUPAC2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid
SMILESCCOCCOc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2.O=C(O)C(F)(F)P
InChIInChI=1S/C17H18N4O3.C2H3F2O2P/c1-2-22-5-6-23-11-4-3-10-7-12-15(19)13(9-18)16(20)21-17(12)24-14(10)8-11;3-2(4,7)1(5)6/h3-4,8H,2,5-7H2,1H3,(H4,19,20,21);7H2,(H,5,6)
InChIKeyJZZRRIKWBTWEFY-UHFFFAOYSA-N
MW454.37 g/mol
LogP2.77
Rot. Bonds6

About 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid

2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid (PubChem CID 142908492) has the molecular formula C19H21F2N4O5P and a molecular weight of 454.37 g/mol. Its IUPAC name is 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid.

Molecular Properties

Compound Name2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid
PubChem CID142908492
Molecular FormulaC19H21F2N4O5P
Molecular Weight454.37 g/mol
Exact Mass454.12
IUPAC Name2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid
SMILESCCOCCOc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2.O=C(O)C(F)(F)P
InChIInChI=1S/C17H18N4O3.C2H3F2O2P/c1-2-22-5-6-23-11-4-3-10-7-12-15(19)13(9-18)16(20)21-17(12)24-14(10)8-11;3-2(4,7)1(5)6/h3-4,8H,2,5-7H2,1H3,(H4,19,20,21);7H2,(H,5,6)
InChIKeyJZZRRIKWBTWEFY-UHFFFAOYSA-N
XLogP2.77
TPSA153.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
CID 158000520
4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane
CID 142908596
2,4-diamino-9-(2-aminoethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
CID 158780830
2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
CID 161244941
2-[(2-amino-3-cyano-7,8-dihydroxy-5H-chromeno[2,3-b]pyridin-4-yl)amino]ethyl 2,2,2-trifluoroacetate
CID 91224184
2,4-diamino-10-methyl-5H-benzo[b][1,8]naphthyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 22391939
2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 10066139
2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709728
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
7-(2-ethoxyethoxy)quinolin-2-amine
CID 155566988
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
2-[2-(6-cyanonaphthalen-2-yl)oxyethoxy]ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 71067374

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid?
The IUPAC name of 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid (CID 142908492) is 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid.
What is the SMILES notation for 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid?
The canonical SMILES for 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid is CCOCCOc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2.O=C(O)C(F)(F)P.
What is the InChIKey of 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid?
The InChIKey is JZZRRIKWBTWEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.C2H3F2O2P/c1-2-22-5-6-23-11-4-3-10-7-12-15(19)13(9-18)16(20)21-17(12)24-14(10)8-11;3-2(4,7)1(5)6/h3-4,8H,2,5-7H2,1H3,(H4,19,20,21);7H2,(H,5,6).
What are the key properties of 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid?
2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid has a molecular weight of 454.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-8-(2-ethoxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2-difluoro-2-phosphanylacetic acid is sourced from PubChem (CID 142908492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).