N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide

C21H19F2N3O3 — CID 109173957

IUPACN-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-6-3-13(9-19(18)29-2)12-25-20-10-14(7-8-24-20)21(27)26-15-4-5-16(22)17(23)11-15/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyBTQAXCYPLPKTIP-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.24
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide

N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109173957) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109173957
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-6-3-13(9-19(18)29-2)12-25-20-10-14(7-8-24-20)21(27)26-15-4-5-16(22)17(23)11-15/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyBTQAXCYPLPKTIP-UHFFFAOYSA-N
XLogP4.24
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109173810
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170837
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172961
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109166273
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide (CID 109173957) is N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide is COc1ccc(CNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is BTQAXCYPLPKTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-18-6-3-13(9-19(18)29-2)12-25-20-10-14(7-8-24-20)21(27)26-15-4-5-16(22)17(23)11-15/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109173957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).