5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide

C14H22ClN3O2 — CID 114924749

IUPAC5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCOCC(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O2/c1-4-16-13-7-11(12(15)8-18-13)14(19)17-5-6-20-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyXBLOEJQBKHAYNP-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.57
Rot. Bonds8

About 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide (PubChem CID 114924749) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
PubChem CID114924749
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCOCC(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O2/c1-4-16-13-7-11(12(15)8-18-13)14(19)17-5-6-20-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyXBLOEJQBKHAYNP-UHFFFAOYSA-N
XLogP2.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.57
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
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 106241240
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 114921831
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 114923146
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114921592

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide (CID 114924749) is 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide is CCNc1cc(C(=O)NCCOCC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is XBLOEJQBKHAYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-16-13-7-11(12(15)8-18-13)14(19)17-5-6-20-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114924749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).