6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

C11H17ClN4O — CID 55041683

IUPAC6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H17ClN4O/c1-16(2)5-3-4-14-11(17)8-6-9(12)10(13)15-7-8/h6-7H,3-5H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyWSWLMFLKOXKYSA-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.00
Rot. Bonds5

About 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 55041683) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID55041683
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H17ClN4O/c1-16(2)5-3-4-14-11(17)8-6-9(12)10(13)15-7-8/h6-7H,3-5H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyWSWLMFLKOXKYSA-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.00
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-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
6-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 62728599
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
6-amino-5-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78990903
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
6-amino-5-chloro-N-(2-cyclopentylethyl)pyridine-3-carboxamide
CID 62161812
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 55041683) is 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is CN(C)CCCNC(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is WSWLMFLKOXKYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(2)5-3-4-14-11(17)8-6-9(12)10(13)15-7-8/h6-7H,3-5H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 256.74 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 55041683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).