2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one

C14H13N3O2 — CID 142908472

IUPAC2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one
SMILESCc1ccc2oc3nc(N)c(CN)cc3c(=O)c2c1
InChIInChI=1S/C14H13N3O2/c1-7-2-3-11-9(4-7)12(18)10-5-8(6-15)13(16)17-14(10)19-11/h2-5H,6,15H2,1H3,(H2,16,17)
InChIKeyMUUAUGXSNNRYCA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.69
Rot. Bonds1

About 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one

2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one (PubChem CID 142908472) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one
PubChem CID142908472
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one
SMILESCc1ccc2oc3nc(N)c(CN)cc3c(=O)c2c1
InChIInChI=1S/C14H13N3O2/c1-7-2-3-11-9(4-7)12(18)10-5-8(6-15)13(16)17-14(10)19-11/h2-5H,6,15H2,1H3,(H2,16,17)
InChIKeyMUUAUGXSNNRYCA-UHFFFAOYSA-N
XLogP1.69
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 725098
9,24-dimethyl-5,28-dioxa-3,30-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6(11),7,9,14,18,20(29),22(27),23,25-dodecaene-12,21-dione
CID 177440034
6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one
CID 139229443
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
CID 71384416
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
ethyl 2-amino-7-(3,3-dimethylbutyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130276879
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
2-bromo-7-methylxanthen-9-one;ethane
CID 143958066
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 4914849

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one (CID 142908472) is 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one is Cc1ccc2oc3nc(N)c(CN)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one?
The InChIKey is MUUAUGXSNNRYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-7-2-3-11-9(4-7)12(18)10-5-8(6-15)13(16)17-14(10)19-11/h2-5H,6,15H2,1H3,(H2,16,17).
What are the key properties of 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one?
2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one has a molecular weight of 255.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 142908472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).