N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride

C17H24Cl2N4O2 — CID 119405364

IUPACN-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
SMILESCCOc1ccc(Nc2ncccc2C(=O)NCCCN)cc1.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/c1-2-23-14-8-6-13(7-9-14)21-16-15(5-3-11-19-16)17(22)20-12-4-10-18;;/h3,5-9,11H,2,4,10,12,18H2,1H3,(H,19,21)(H,20,22);2*1H
InChIKeyFDQAIFYPXRAUPX-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.15
Rot. Bonds8

About N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride

N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119405364) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
PubChem CID119405364
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC NameN-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
SMILESCCOc1ccc(Nc2ncccc2C(=O)NCCCN)cc1.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/c1-2-23-14-8-6-13(7-9-14)21-16-15(5-3-11-19-16)17(22)20-12-4-10-18;;/h3,5-9,11H,2,4,10,12,18H2,1H3,(H,19,21)(H,20,22);2*1H
InChIKeyFDQAIFYPXRAUPX-UHFFFAOYSA-N
XLogP3.15
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 55993721
2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27783158
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967528
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 55308156
2-(4-butoxyanilino)pyridine-3-carboxylate
CID 7130496
2-(4-ethoxyanilino)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 166402840
N-(3-ethoxypropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243078
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
CID 119407971
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543206

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride (CID 119405364) is N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride is CCOc1ccc(Nc2ncccc2C(=O)NCCCN)cc1.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is FDQAIFYPXRAUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2ClH/c1-2-23-14-8-6-13(7-9-14)21-16-15(5-3-11-19-16)17(22)20-12-4-10-18;;/h3,5-9,11H,2,4,10,12,18H2,1H3,(H,19,21)(H,20,22);2*1H.
What are the key properties of N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride?
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 387.31 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119405364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).