2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide

C12H18ClN3O2 — CID 84580910

IUPAC2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCN(C)C)cc(Cl)n1
InChIInChI=1S/C12H18ClN3O2/c1-16(2)6-4-5-14-12(17)9-7-10(13)15-11(8-9)18-3/h7-8H,4-6H2,1-3H3,(H,14,17)
InChIKeyNMQXAEHHHRWLSR-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.43
Rot. Bonds6

About 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide

2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide (PubChem CID 84580910) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
PubChem CID84580910
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCN(C)C)cc(Cl)n1
InChIInChI=1S/C12H18ClN3O2/c1-16(2)6-4-5-14-12(17)9-7-10(13)15-11(8-9)18-3/h7-8H,4-6H2,1-3H3,(H,14,17)
InChIKeyNMQXAEHHHRWLSR-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
CID 84580621
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032
tert-butyl N-[[4-[[(2-chloro-6-methoxypyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
CID 58002083
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-chloro-N-[3-(dimethylamino)propyl]-1,3-benzoxazole-6-carboxamide
CID 100786845
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide
CID 84580873

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide (CID 84580910) is 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide is COc1cc(C(=O)NCCCN(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide?
The InChIKey is NMQXAEHHHRWLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-16(2)6-4-5-14-12(17)9-7-10(13)15-11(8-9)18-3/h7-8H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide?
2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide is sourced from PubChem (CID 84580910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).