2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide

C14H21ClN2O — CID 113379658

IUPAC2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)CC)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-5-7-11-8-10(9-12(15)16-11)13(18)17-14(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyISTSGMDLBNTUPO-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide

2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide (PubChem CID 113379658) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
PubChem CID113379658
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)CC)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O/c1-5-7-11-8-10(9-12(15)16-11)13(18)17-14(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyISTSGMDLBNTUPO-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

N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2,6-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115969021
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
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
2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 140870096
2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331240
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
CID 114932118
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide (CID 113379658) is 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NC(C)(C)CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide?
The InChIKey is ISTSGMDLBNTUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-5-7-11-8-10(9-12(15)16-11)13(18)17-14(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-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-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113379658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).