2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

C12H14ClN5O — CID 55046147

IUPAC2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2cn[nH]c2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-2-14-11-4-9(3-10(13)18-11)12(19)15-5-8-6-16-17-7-8/h3-4,6-7H,2,5H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyBKHGCFJFYULLCY-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.82
Rot. Bonds5

About 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 55046147) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID55046147
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2cn[nH]c2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-2-14-11-4-9(3-10(13)18-11)12(19)15-5-8-6-16-17-7-8/h3-4,6-7H,2,5H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyBKHGCFJFYULLCY-UHFFFAOYSA-N
XLogP1.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.82
H-Bond Donors ≤ 53
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-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 113480509
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (CID 55046147) is 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCc2cn[nH]c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is BKHGCFJFYULLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-14-11-4-9(3-10(13)18-11)12(19)15-5-8-6-16-17-7-8/h3-4,6-7H,2,5H2,1H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55046147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).