N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

C10H14ClN5O2 — CID 62241958

IUPACN-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C10H14ClN5O2/c1-6(17)13-2-3-14-10(18)7-4-8(11)15-9(5-7)16-12/h4-5H,2-3,12H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyWUEYMRFWSPDOFE-UHFFFAOYSA-N
MW271.71 g/mol
LogP-0.11
Rot. Bonds5

About N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (PubChem CID 62241958) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
PubChem CID62241958
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC NameN-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C10H14ClN5O2/c1-6(17)13-2-3-14-10(18)7-4-8(11)15-9(5-7)16-12/h4-5H,2-3,12H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyWUEYMRFWSPDOFE-UHFFFAOYSA-N
XLogP-0.11
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
2-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 62241576
2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327248
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 62237463

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (CID 62241958) is N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is CC(=O)NCCNC(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is WUEYMRFWSPDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-6(17)13-2-3-14-10(18)7-4-8(11)15-9(5-7)16-12/h4-5H,2-3,12H2,1H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 271.71 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 62241958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).