2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide

C13H20ClN3O2 — CID 62175806

IUPAC2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)COCC)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-15-12-7-10(6-11(14)17-12)13(18)16-9(3)8-19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyIPECAFSJCIQIGT-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.32
Rot. Bonds7

About 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide

2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 62175806) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide
PubChem CID62175806
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)COCC)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-15-12-7-10(6-11(14)17-12)13(18)16-9(3)8-19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyIPECAFSJCIQIGT-UHFFFAOYSA-N
XLogP2.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
CID 62180370
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
2-chloro-6-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389759
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
2-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62179108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide (CID 62175806) is 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NC(C)COCC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is IPECAFSJCIQIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-15-12-7-10(6-11(14)17-12)13(18)16-9(3)8-19-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide?
2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62175806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).