2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide

C8H9ClN4O2 — CID 62156055

IUPAC2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
SMILESNC(=O)CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C8H9ClN4O2/c9-5-1-4(2-6(10)13-5)8(15)12-3-7(11)14/h1-2H,3H2,(H2,10,13)(H2,11,14)(H,12,15)
InChIKeyXVFSVIRYLRPFOY-UHFFFAOYSA-N
MW228.64 g/mol
LogP-0.47
Rot. Bonds3

About 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide

2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide (PubChem CID 62156055) has the molecular formula C8H9ClN4O2 and a molecular weight of 228.64 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
PubChem CID62156055
Molecular FormulaC8H9ClN4O2
Molecular Weight228.64 g/mol
Exact Mass228.04
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
SMILESNC(=O)CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C8H9ClN4O2/c9-5-1-4(2-6(10)13-5)8(15)12-3-7(11)14/h1-2H,3H2,(H2,10,13)(H2,11,14)(H,12,15)
InChIKeyXVFSVIRYLRPFOY-UHFFFAOYSA-N
XLogP-0.47
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 5-0.47
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

N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115631265
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114944144
2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
CID 103099339
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
CID 63373106
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide (CID 62156055) is 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide is NC(=O)CNC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide?
The InChIKey is XVFSVIRYLRPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2/c9-5-1-4(2-6(10)13-5)8(15)12-3-7(11)14/h1-2H,3H2,(H2,10,13)(H2,11,14)(H,12,15).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide?
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide has a molecular weight of 228.64 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 62156055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).