6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide

C10H13ClN4O2 — CID 55041650

IUPAC6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide
SMILESNC(=O)CCCNC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C10H13ClN4O2/c11-6-3-4-7(12)15-9(6)10(17)14-5-1-2-8(13)16/h3-4H,1-2,5H2,(H2,12,15)(H2,13,16)(H,14,17)
InChIKeyQZKLMSCHNJNWAJ-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.31
Rot. Bonds5

About 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide

6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide (PubChem CID 55041650) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide
PubChem CID55041650
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide
SMILESNC(=O)CCCNC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C10H13ClN4O2/c11-6-3-4-7(12)15-9(6)10(17)14-5-1-2-8(13)16/h3-4H,1-2,5H2,(H2,12,15)(H2,13,16)(H,14,17)
InChIKeyQZKLMSCHNJNWAJ-UHFFFAOYSA-N
XLogP0.31
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide (CID 55041650) is 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide is NC(=O)CCCNC(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide?
The InChIKey is QZKLMSCHNJNWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-6-3-4-7(12)15-9(6)10(17)14-5-1-2-8(13)16/h3-4H,1-2,5H2,(H2,12,15)(H2,13,16)(H,14,17).
What are the key properties of 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide?
6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 55041650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).