N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide

C10H13Cl2N3O — CID 106993576

IUPACN-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
SMILESNCCCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H13Cl2N3O/c11-8-4-3-7(9(12)15-8)10(16)14-6-2-1-5-13/h3-4H,1-2,5-6,13H2,(H,14,16)
InChIKeyRHENCLNEMMIXMC-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.86
Rot. Bonds5

About N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide

N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 106993576) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID106993576
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC NameN-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
SMILESNCCCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H13Cl2N3O/c11-8-4-3-7(9(12)15-8)10(16)14-6-2-1-5-13/h3-4H,1-2,5-6,13H2,(H,14,16)
InChIKeyRHENCLNEMMIXMC-UHFFFAOYSA-N
XLogP1.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
CID 155072068
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide (CID 106993576) is N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide is NCCCCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is RHENCLNEMMIXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c11-8-4-3-7(9(12)15-8)10(16)14-6-2-1-5-13/h3-4H,1-2,5-6,13H2,(H,14,16).
What are the key properties of N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide?
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 262.14 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 106993576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).