N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide

C14H22ClN3O2 — CID 114923111

IUPACN-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
SMILESCCCCOCCNC(=O)c1cc(NCC)ncc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-3-5-7-20-8-6-17-14(19)11-9-13(16-4-2)18-10-12(11)15/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDXZSMKSDYGSWBP-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.71
Rot. Bonds9

About N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide

N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 114923111) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
PubChem CID114923111
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
SMILESCCCCOCCNC(=O)c1cc(NCC)ncc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-3-5-7-20-8-6-17-14(19)11-9-13(16-4-2)18-10-12(11)15/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDXZSMKSDYGSWBP-UHFFFAOYSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.71
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-(2-amino-2-oxoethoxy)ethyl]-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 106241240
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
CID 114924749
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 114921831
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide (CID 114923111) is N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide is CCCCOCCNC(=O)c1cc(NCC)ncc1Cl.
What is the InChIKey of N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is DXZSMKSDYGSWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-5-7-20-8-6-17-14(19)11-9-13(16-4-2)18-10-12(11)15/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).