2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide

C14H21ClN2O — CID 114174171

IUPAC2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)(CC)CC)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-5-11-8-10(9-12(15)16-11)13(18)17-14(4,6-2)7-3/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyMDLANNLZWCILDO-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide

2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide (PubChem CID 114174171) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
PubChem CID114174171
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)(CC)CC)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-5-11-8-10(9-12(15)16-11)13(18)17-14(4,6-2)7-3/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyMDLANNLZWCILDO-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
CID 107856458
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 65038933
2-amino-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331239
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107573376
2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331240
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
CID 106954276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide (CID 114174171) is 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)(CC)CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The InChIKey is MDLANNLZWCILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-5-11-8-10(9-12(15)16-11)13(18)17-14(4,6-2)7-3/h8-9H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide has a molecular weight of 268.79 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114174171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).