3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine

C21H21FN4O2 — CID 142908533

IUPAC3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine
SMILESCNc1nc2c(c(N)c1CN)C(c1cccc(F)c1)c1ccc(OC)cc1O2
InChIInChI=1S/C21H21FN4O2/c1-25-20-15(10-23)19(24)18-17(11-4-3-5-12(22)8-11)14-7-6-13(27-2)9-16(14)28-21(18)26-20/h3-9,17H,10,23H2,1-2H3,(H3,24,25,26)
InChIKeyMWXMSIWHBVHZHL-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.60
Rot. Bonds4

About 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine

3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine (PubChem CID 142908533) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine
PubChem CID142908533
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine
SMILESCNc1nc2c(c(N)c1CN)C(c1cccc(F)c1)c1ccc(OC)cc1O2
InChIInChI=1S/C21H21FN4O2/c1-25-20-15(10-23)19(24)18-17(11-4-3-5-12(22)8-11)14-7-6-13(27-2)9-16(14)28-21(18)26-20/h3-9,17H,10,23H2,1-2H3,(H3,24,25,26)
InChIKeyMWXMSIWHBVHZHL-UHFFFAOYSA-N
XLogP3.60
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine?
The IUPAC name of 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine (CID 142908533) is 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine.
What is the SMILES notation for 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine?
The canonical SMILES for 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine is CNc1nc2c(c(N)c1CN)C(c1cccc(F)c1)c1ccc(OC)cc1O2.
What is the InChIKey of 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine?
The InChIKey is MWXMSIWHBVHZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-25-20-15(10-23)19(24)18-17(11-4-3-5-12(22)8-11)14-7-6-13(27-2)9-16(14)28-21(18)26-20/h3-9,17H,10,23H2,1-2H3,(H3,24,25,26).
What are the key properties of 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine?
3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine has a molecular weight of 380.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine is sourced from PubChem (CID 142908533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).