N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide

C11H13ClN2O — CID 164555339

IUPACN-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide
SMILESC=C[C@@H](C)NC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-4-7(2)14-11(15)9-5-8(3)13-10(12)6-9/h4-7H,1H2,2-3H3,(H,14,15)/t7-/m1/s1
InChIKeyIKIMSEFZJPNTFS-SSDOTTSWSA-N
MW224.69 g/mol
LogP2.35
Rot. Bonds3

About N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide

N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide (PubChem CID 164555339) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide
PubChem CID164555339
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide
SMILESC=C[C@@H](C)NC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-4-7(2)14-11(15)9-5-8(3)13-10(12)6-9/h4-7H,1H2,2-3H3,(H,14,15)/t7-/m1/s1
InChIKeyIKIMSEFZJPNTFS-SSDOTTSWSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide?
The IUPAC name of N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide (CID 164555339) is N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide is C=C[C@@H](C)NC(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide?
The InChIKey is IKIMSEFZJPNTFS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-4-7(2)14-11(15)9-5-8(3)13-10(12)6-9/h4-7H,1H2,2-3H3,(H,14,15)/t7-/m1/s1.
What are the key properties of N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide?
N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-but-3-en-2-yl]-2-chloro-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 164555339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).