2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide

C14H21ClN2O — CID 113379911

IUPAC2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)CC)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-4-6-12-7-11(8-13(15)17-12)14(18)16-9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyIXRXGMWFNBYXDQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.46
Rot. Bonds6

About 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide

2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide (PubChem CID 113379911) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
PubChem CID113379911
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)CC)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-4-6-12-7-11(8-13(15)17-12)14(18)16-9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyIXRXGMWFNBYXDQ-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.46
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-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
CID 107864079
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
CID 114107737
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide (CID 113379911) is 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCC(C)CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide?
The InChIKey is IXRXGMWFNBYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-6-12-7-11(8-13(15)17-12)14(18)16-9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide has a molecular weight of 268.79 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113379911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).