N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide

C14H22ClN3O2 — CID 62176364

IUPACN-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
SMILESCCCCOCCNC(=O)c1cnc(NCC)c(Cl)c1
InChIInChI=1S/C14H22ClN3O2/c1-3-5-7-20-8-6-17-14(19)11-9-12(15)13(16-4-2)18-10-11/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYEENXVYTLIBSIB-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.71
Rot. Bonds9

About N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide

N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide (PubChem CID 62176364) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
PubChem CID62176364
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
SMILESCCCCOCCNC(=O)c1cnc(NCC)c(Cl)c1
InChIInChI=1S/C14H22ClN3O2/c1-3-5-7-20-8-6-17-14(19)11-9-12(15)13(16-4-2)18-10-11/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYEENXVYTLIBSIB-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-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
N-(2-butoxyethyl)-3-chloro-4-nitrobenzamide
CID 82780869
5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327037
5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335
5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide
CID 114098385

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide (CID 62176364) is N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide is CCCCOCCNC(=O)c1cnc(NCC)c(Cl)c1.
What is the InChIKey of N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
The InChIKey is YEENXVYTLIBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-5-7-20-8-6-17-14(19)11-9-12(15)13(16-4-2)18-10-11/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-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-6-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62176364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).