N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide

C13H19ClN2O — CID 113379664

IUPACN-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)C)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O/c1-5-6-10-7-9(8-11(14)15-10)12(17)16-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyDVTWKHDBZXXPLS-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.22
Rot. Bonds3

About N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide

N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide (PubChem CID 113379664) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
PubChem CID113379664
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)C)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O/c1-5-6-10-7-9(8-11(14)15-10)12(17)16-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyDVTWKHDBZXXPLS-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.22
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-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
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-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
CID 107864079
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
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide
CID 114387285
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
CID 114107737
2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106281903
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107701218

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide (CID 113379664) is N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NC(C)(C)C)cc(Cl)n1.
What is the InChIKey of N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide?
The InChIKey is DVTWKHDBZXXPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-5-6-10-7-9(8-11(14)15-10)12(17)16-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide?
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113379664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).