2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one

C17H17N3O4 — CID 164670561

IUPAC2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
SMILESCCNc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O4/c1-4-18-16-13(20(22)23)8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)19-16/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyUZNJDQDCGUSVLZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.80
Rot. Bonds4

About 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one

2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one (PubChem CID 164670561) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
PubChem CID164670561
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
SMILESCCNc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O4/c1-4-18-16-13(20(22)23)8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)19-16/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyUZNJDQDCGUSVLZ-UHFFFAOYSA-N
XLogP3.80
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670559
2-(benzylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670563
3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one
CID 164670558
2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one
CID 164670550
trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate
CID 91745178
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
2-chloro-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carbonitrile
CID 20561053
N-ethyl-4-nitro-1,3-benzoxazol-2-amine
CID 79881998
N,6-diethyl-3-nitroquinolin-2-amine
CID 174878074
N-ethyl-3,6-di(propan-2-yl)quinolin-2-amine
CID 63525945
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
methyl 7-chloro-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 3797554

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one (CID 164670561) is 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one is CCNc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1[N+](=O)[O-].
What is the InChIKey of 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one?
The InChIKey is UZNJDQDCGUSVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-4-18-16-13(20(22)23)8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)19-16/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one?
2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one has a molecular weight of 327.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 164670561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).