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

C14H23N3O2 — CID 105069592

IUPACN-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCCCOCCNC(=O)c1ccncc1NCC
InChIInChI=1S/C14H23N3O2/c1-3-5-9-19-10-8-17-14(18)12-6-7-15-11-13(12)16-4-2/h6-7,11,16H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyITOWGUHTULIRDJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds9

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

N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105069592) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105069592
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCCCOCCNC(=O)c1ccncc1NCC
InChIInChI=1S/C14H23N3O2/c1-3-5-9-19-10-8-17-14(18)12-6-7-15-11-13(12)16-4-2/h6-7,11,16H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyITOWGUHTULIRDJ-UHFFFAOYSA-N
XLogP2.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.06
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-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
3-(ethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-4-carboxamide
CID 105069888
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071089
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
CID 105070362
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide (CID 105069592) is N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide is CCCCOCCNC(=O)c1ccncc1NCC.
What is the InChIKey of N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is ITOWGUHTULIRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-9-19-10-8-17-14(18)12-6-7-15-11-13(12)16-4-2/h6-7,11,16H,3-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide?
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).