2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide

C14H20ClN3O2 — CID 103108307

IUPAC2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)C(=O)N(C)CC)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O2/c1-5-11-7-10(8-12(15)17-11)13(19)16-9(3)14(20)18(4)6-2/h7-9H,5-6H2,1-4H3,(H,16,19)
InChIKeyHRVAKPVJKNBCOR-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.89
Rot. Bonds5

About 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 103108307) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID103108307
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)C(=O)N(C)CC)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O2/c1-5-11-7-10(8-12(15)17-11)13(19)16-9(3)14(20)18(4)6-2/h7-9H,5-6H2,1-4H3,(H,16,19)
InChIKeyHRVAKPVJKNBCOR-UHFFFAOYSA-N
XLogP1.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 103110784
2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 106156530
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
CID 107869123
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
CID 103106429
2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 107862756
2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
CID 107856458
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 103108307) is 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)C(=O)N(C)CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is HRVAKPVJKNBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-5-11-7-10(8-12(15)17-11)13(19)16-9(3)14(20)18(4)6-2/h7-9H,5-6H2,1-4H3,(H,16,19).
What are the key properties of 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 103108307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).