N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide

C13H21N3O2 — CID 62187218

IUPACN-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCOCC)cn1
InChIInChI=1S/C13H21N3O2/c1-3-7-14-12-6-5-11(10-16-12)13(17)15-8-9-18-4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNIAYCBOGSDVJKQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds8

About N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide

N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62187218) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID62187218
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCOCC)cn1
InChIInChI=1S/C13H21N3O2/c1-3-7-14-12-6-5-11(10-16-12)13(17)15-8-9-18-4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNIAYCBOGSDVJKQ-UHFFFAOYSA-N
XLogP1.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 63692575
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-[2-(tert-butylamino)-2-oxoethyl]-6-(propylamino)pyridine-3-carboxamide
CID 115357188
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N',N'-dimethyl-6-(propylamino)pyridine-3-carbohydrazide
CID 83024179
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 62178002
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176173
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide (CID 62187218) is N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)NCCOCC)cn1.
What is the InChIKey of N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is NIAYCBOGSDVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-14-12-6-5-11(10-16-12)13(17)15-8-9-18-4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide?
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62187218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).