6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

C15H15ClFN3O — CID 78956139

IUPAC6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C15H15ClFN3O/c1-20(2)15(21)11-4-6-14(19-9-11)18-8-10-3-5-13(17)12(16)7-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyQQZUVTCQXOAMQJ-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.19
Rot. Bonds4

About 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78956139) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78956139
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C15H15ClFN3O/c1-20(2)15(21)11-4-6-14(19-9-11)18-8-10-3-5-13(17)12(16)7-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyQQZUVTCQXOAMQJ-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956191
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 133308195
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (CID 78956139) is 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is QQZUVTCQXOAMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20(2)15(21)11-4-6-14(19-9-11)18-8-10-3-5-13(17)12(16)7-10/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78956139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).