6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide

C12H16ClN3O2 — CID 55052683

IUPAC6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-3-14-11(17)8-16(4-2)12(18)9-6-5-7-10(13)15-9/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyCMPILEMTZDMEDG-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.33
Rot. Bonds5

About 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide

6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 55052683) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID55052683
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-3-14-11(17)8-16(4-2)12(18)9-6-5-7-10(13)15-9/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyCMPILEMTZDMEDG-UHFFFAOYSA-N
XLogP1.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.33
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

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-2-methylbenzamide
CID 82795366
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 62232755
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
CID 63588208
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 54986422
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
2-[(3-chloro-2-methylphenyl)carbamothioyl-ethylamino]-N-ethylacetamide
CID 9213584
3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 113286144
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 55052683) is 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide is CCNC(=O)CN(CC)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is CMPILEMTZDMEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-3-14-11(17)8-16(4-2)12(18)9-6-5-7-10(13)15-9/h5-7H,3-4,8H2,1-2H3,(H,14,17).
What are the key properties of 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide?
6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 55052683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).