2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide

C13H13ClN4O — CID 62167550

IUPAC2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccncc2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-2-16-12-8-9(7-11(14)18-12)13(19)17-10-3-5-15-6-4-10/h3-8H,2H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyMRMDSMNLKCHGCE-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.81
Rot. Bonds4

About 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 62167550) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
PubChem CID62167550
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccncc2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-2-16-12-8-9(7-11(14)18-12)13(19)17-10-3-5-15-6-4-10/h3-8H,2H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyMRMDSMNLKCHGCE-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.81
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-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
2-chloro-6-(ethylamino)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 62165501
2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 107595523
2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide
CID 55047218
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62185754
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 78954355
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide (CID 62167550) is 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide is CCNc1cc(C(=O)Nc2ccncc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is MRMDSMNLKCHGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-2-16-12-8-9(7-11(14)18-12)13(19)17-10-3-5-15-6-4-10/h3-8H,2H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 62167550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).