2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

C20H15N3O3 — CID 4914849

IUPAC2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESNc1nc2oc3ccccc3c(=O)c2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H15N3O3/c21-18-15(19(25)22-11-12-6-2-1-3-7-12)10-14-17(24)13-8-4-5-9-16(13)26-20(14)23-18/h1-10H,11H2,(H2,21,23)(H,22,25)
InChIKeyISZGTURKUZFWNG-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.85
Rot. Bonds3

About 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 4914849) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
PubChem CID4914849
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESNc1nc2oc3ccccc3c(=O)c2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H15N3O3/c21-18-15(19(25)22-11-12-6-2-1-3-7-12)10-14-17(24)13-8-4-5-9-16(13)26-20(14)23-18/h1-10H,11H2,(H2,21,23)(H,22,25)
InChIKeyISZGTURKUZFWNG-UHFFFAOYSA-N
XLogP2.85
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
CID 2764664
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 1475298
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 1475272
2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275440
N-benzyl-[1]benzofuro[3,2-b]pyridine-2-carboxamide
CID 69090493
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
CID 53382850
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
CID 1485835
2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (CID 4914849) is 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is Nc1nc2oc3ccccc3c(=O)c2cc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is ISZGTURKUZFWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c21-18-15(19(25)22-11-12-6-2-1-3-7-12)10-14-17(24)13-8-4-5-9-16(13)26-20(14)23-18/h1-10H,11H2,(H2,21,23)(H,22,25).
What are the key properties of 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 4914849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).