2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide

C13H19ClN2O2 — CID 103843602

IUPAC2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-13(4-2,9-17)8-16-12(18)10-5-6-15-11(14)7-10/h5-7,17H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyRQFOQQKOHQSNOK-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds6

About 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide

2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide (PubChem CID 103843602) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
PubChem CID103843602
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-13(4-2,9-17)8-16-12(18)10-5-6-15-11(14)7-10/h5-7,17H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyRQFOQQKOHQSNOK-UHFFFAOYSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104877898
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide
CID 103843738
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
CID 103843375
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-nitrobenzamide
CID 104864845
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
CID 114219727
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide (CID 103843602) is 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide is CCC(CC)(CO)CNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide?
The InChIKey is RQFOQQKOHQSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-13(4-2,9-17)8-16-12(18)10-5-6-15-11(14)7-10/h5-7,17H,3-4,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide?
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 103843602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).