4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide

C14H14N4O3 — CID 62166120

IUPAC4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N4O3/c1-2-15-10-6-7-16-13(9-10)14(19)17-11-4-3-5-12(8-11)18(20)21/h3-9H,2H2,1H3,(H,15,16)(H,17,19)
InChIKeyGSQUQVMHMHXJQV-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.67
Rot. Bonds5

About 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide

4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide (PubChem CID 62166120) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide
PubChem CID62166120
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N4O3/c1-2-15-10-6-7-16-13(9-10)14(19)17-11-4-3-5-12(8-11)18(20)21/h3-9H,2H2,1H3,(H,15,16)(H,17,19)
InChIKeyGSQUQVMHMHXJQV-UHFFFAOYSA-N
XLogP2.67
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.67
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

N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331
N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651069
N-ethyl-2-(3-nitrophenyl)pyridin-4-amine
CID 102824677
N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62165795
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
ethyl 6-[(3-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 3334727
4-amino-2-(ethylamino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 171133622
4-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62181190
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide (CID 62166120) is 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide is CCNc1ccnc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is GSQUQVMHMHXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-2-15-10-6-7-16-13(9-10)14(19)17-11-4-3-5-12(8-11)18(20)21/h3-9H,2H2,1H3,(H,15,16)(H,17,19).
What are the key properties of 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide?
4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62166120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).