6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide

C12H18ClN3O2 — CID 107201186

IUPAC6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-16(7-3-2-4-8-17)12(18)11-9(13)5-6-10(14)15-11/h5-6,17H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyZBRAUBAOXARLQM-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.55
Rot. Bonds6

About 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide

6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide (PubChem CID 107201186) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
PubChem CID107201186
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-16(7-3-2-4-8-17)12(18)11-9(13)5-6-10(14)15-11/h5-6,17H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyZBRAUBAOXARLQM-UHFFFAOYSA-N
XLogP1.55
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62186020
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide
CID 55042068
3-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
CID 62235495
6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62161613
6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
CID 62160440
6-amino-3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62160447
6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 55042057
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
6-amino-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62160527
6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664231

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide (CID 107201186) is 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide is CN(CCCCCO)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide?
The InChIKey is ZBRAUBAOXARLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-16(7-3-2-4-8-17)12(18)11-9(13)5-6-10(14)15-11/h5-6,17H,2-4,7-8H2,1H3,(H2,14,15).
What are the key properties of 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide?
6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107201186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).