N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide

C21H21FN4O — CID 51119906

IUPACN-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cccnc2Nc2cccc(F)c2)c1
InChIInChI=1S/C21H21FN4O/c1-26(2)14-15-6-3-8-17(12-15)25-21(27)19-10-5-11-23-20(19)24-18-9-4-7-16(22)13-18/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyAIESOYGDQKVUAO-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.28
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide

N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide (PubChem CID 51119906) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
PubChem CID51119906
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cccnc2Nc2cccc(F)c2)c1
InChIInChI=1S/C21H21FN4O/c1-26(2)14-15-6-3-8-17(12-15)25-21(27)19-10-5-11-23-20(19)24-18-9-4-7-16(22)13-18/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyAIESOYGDQKVUAO-UHFFFAOYSA-N
XLogP4.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 86898718
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 60509420
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide (CID 51119906) is N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide is CN(C)Cc1cccc(NC(=O)c2cccnc2Nc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is AIESOYGDQKVUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-26(2)14-15-6-3-8-17(12-15)25-21(27)19-10-5-11-23-20(19)24-18-9-4-7-16(22)13-18/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 51119906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).