5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide

C15H24ClN3O2 — CID 114923597

IUPAC5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CC)CCOCC)c(Cl)cn1
InChIInChI=1S/C15H24ClN3O2/c1-4-7-17-14-10-12(13(16)11-18-14)15(20)19(5-2)8-9-21-6-3/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyQSLUZYRZCCATBZ-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.06
Rot. Bonds9

About 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide

5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114923597) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
PubChem CID114923597
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CC)CCOCC)c(Cl)cn1
InChIInChI=1S/C15H24ClN3O2/c1-4-7-17-14-10-12(13(16)11-18-14)15(20)19(5-2)8-9-21-6-3/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyQSLUZYRZCCATBZ-UHFFFAOYSA-N
XLogP3.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
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
5-chloro-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)pyridine-4-carboxamide
CID 114922728
5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 114922484
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922793
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 114923196
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 114923905
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide (CID 114923597) is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(CC)CCOCC)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is QSLUZYRZCCATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-4-7-17-14-10-12(13(16)11-18-14)15(20)19(5-2)8-9-21-6-3/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide?
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).