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

C12H12ClN5O — CID 55047218

IUPAC2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cnccn2)cc(Cl)n1
InChIInChI=1S/C12H12ClN5O/c1-2-15-10-6-8(5-9(13)17-10)12(19)18-11-7-14-3-4-16-11/h3-7H,2H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyNRZNQVDVSGSECU-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.21
Rot. Bonds4

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

2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide (PubChem CID 55047218) has the molecular formula C12H12ClN5O and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide
PubChem CID55047218
Molecular FormulaC12H12ClN5O
Molecular Weight277.71 g/mol
Exact Mass277.07
IUPAC Name2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cnccn2)cc(Cl)n1
InChIInChI=1S/C12H12ClN5O/c1-2-15-10-6-8(5-9(13)17-10)12(19)18-11-7-14-3-4-16-11/h3-7H,2H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyNRZNQVDVSGSECU-UHFFFAOYSA-N
XLogP2.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 107595523
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
2-chloro-6-(ethylamino)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 62165501
4-(ethylamino)-N-pyrazin-2-ylpyridine-2-carboxamide
CID 62168412
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
3,5-dihydroxy-N-pyrazin-2-ylbenzamide
CID 107703696
N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62185754
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide (CID 55047218) is 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide is CCNc1cc(C(=O)Nc2cnccn2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide?
The InChIKey is NRZNQVDVSGSECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-2-15-10-6-8(5-9(13)17-10)12(19)18-11-7-14-3-4-16-11/h3-7H,2H2,1H3,(H,15,17)(H,16,18,19).
What are the key properties of 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 55047218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).