3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine

C21H20ClN3O — CID 142944327

IUPAC3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine
SMILESCc1ccc2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3C)c1CO2
InChIInChI=1S/C21H20ClN3O/c1-11-3-6-18-15(7-11)20-17(10-26-18)19(16(9-23)21(24)25-20)14-5-4-13(22)8-12(14)2/h3-8H,9-10,23H2,1-2H3,(H2,24,25)
InChIKeyKJKWCNKUYCCPAE-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.62
Rot. Bonds2

About 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine

3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine (PubChem CID 142944327) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine
PubChem CID142944327
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine
SMILESCc1ccc2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3C)c1CO2
InChIInChI=1S/C21H20ClN3O/c1-11-3-6-18-15(7-11)20-17(10-26-18)19(16(9-23)21(24)25-20)14-5-4-13(22)8-12(14)2/h3-8H,9-10,23H2,1-2H3,(H2,24,25)
InChIKeyKJKWCNKUYCCPAE-UHFFFAOYSA-N
XLogP4.62
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine (CID 142944327) is 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine is Cc1ccc2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3C)c1CO2.
What is the InChIKey of 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine?
The InChIKey is KJKWCNKUYCCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-11-3-6-18-15(7-11)20-17(10-26-18)19(16(9-23)21(24)25-20)14-5-4-13(22)8-12(14)2/h3-8H,9-10,23H2,1-2H3,(H2,24,25).
What are the key properties of 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine?
3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine has a molecular weight of 365.86 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(4-chloro-2-methylphenyl)-9-methyl-5H-chromeno[4,3-b]pyridin-2-amine is sourced from PubChem (CID 142944327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).