2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide

C15H15ClN2O2 — CID 114331667

IUPAC2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2ccccc2O)cc(Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-2-12-7-11(8-14(16)18-12)15(20)17-9-10-5-3-4-6-13(10)19/h3-8,19H,2,9H2,1H3,(H,17,20)
InChIKeyBFVNZWVXRNKHOO-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.93
Rot. Bonds4

About 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 114331667) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID114331667
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2ccccc2O)cc(Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-2-12-7-11(8-14(16)18-12)15(20)17-9-10-5-3-4-6-13(10)19/h3-8,19H,2,9H2,1H3,(H,17,20)
InChIKeyBFVNZWVXRNKHOO-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 106415762
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 113379883
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 107862756
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide (CID 114331667) is 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide is CCc1cc(C(=O)NCc2ccccc2O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is BFVNZWVXRNKHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-12-7-11(8-14(16)18-12)15(20)17-9-10-5-3-4-6-13(10)19/h3-8,19H,2,9H2,1H3,(H,17,20).
What are the key properties of 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114331667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).