N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide

C11H16N4O3 — CID 114195863

IUPACN-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnc([N+](=O)[O-])cc1C(=O)NCC
InChIInChI=1S/C11H16N4O3/c1-3-5-13-9-7-14-10(15(17)18)6-8(9)11(16)12-4-2/h6-7,13H,3-5H2,1-2H3,(H,12,16)
InChIKeyWULAVWMDBNHZCO-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.56
Rot. Bonds6

About N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide

N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide (PubChem CID 114195863) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
PubChem CID114195863
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnc([N+](=O)[O-])cc1C(=O)NCC
InChIInChI=1S/C11H16N4O3/c1-3-5-13-9-7-14-10(15(17)18)6-8(9)11(16)12-4-2/h6-7,13H,3-5H2,1-2H3,(H,12,16)
InChIKeyWULAVWMDBNHZCO-UHFFFAOYSA-N
XLogP1.56
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 114194432
2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 114194514
2-nitro-5-(3,3,3-trifluoropropylamino)pyridine-4-carboxylic acid
CID 114194485
5-(3-methylsulfinylpropylamino)-2-nitropyridine-4-carboxylic acid
CID 114194524
5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
CID 114195860
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194513
5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
CID 114194554
N-(2-aminobutyl)-5-bromo-2-nitropyridine-4-carboxamide
CID 114194617
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194558
5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide
CID 114194173

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide (CID 114195863) is N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide is CCCNc1cnc([N+](=O)[O-])cc1C(=O)NCC.
What is the InChIKey of N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide?
The InChIKey is WULAVWMDBNHZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-5-13-9-7-14-10(15(17)18)6-8(9)11(16)12-4-2/h6-7,13H,3-5H2,1-2H3,(H,12,16).
What are the key properties of N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide?
N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114195863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).