N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide

C24H21N3O3 — CID 91068337

IUPACN-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide
SMILESCOc1cccc(Nc2cc(-c3cccc(CNC(=O)c4ccco4)c3)ccn2)c1
InChIInChI=1S/C24H21N3O3/c1-29-21-8-3-7-20(15-21)27-23-14-19(10-11-25-23)18-6-2-5-17(13-18)16-26-24(28)22-9-4-12-30-22/h2-15H,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNJVOMSYVCXSXTO-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.02
Rot. Bonds7

About N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide

N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide (PubChem CID 91068337) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide
PubChem CID91068337
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide
SMILESCOc1cccc(Nc2cc(-c3cccc(CNC(=O)c4ccco4)c3)ccn2)c1
InChIInChI=1S/C24H21N3O3/c1-29-21-8-3-7-20(15-21)27-23-14-19(10-11-25-23)18-6-2-5-17(13-18)16-26-24(28)22-9-4-12-30-22/h2-15H,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNJVOMSYVCXSXTO-UHFFFAOYSA-N
XLogP5.02
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide
CID 22425545
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide (CID 91068337) is N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide is COc1cccc(Nc2cc(-c3cccc(CNC(=O)c4ccco4)c3)ccn2)c1.
What is the InChIKey of N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide?
The InChIKey is NJVOMSYVCXSXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-21-8-3-7-20(15-21)27-23-14-19(10-11-25-23)18-6-2-5-17(13-18)16-26-24(28)22-9-4-12-30-22/h2-15H,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide?
N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 91068337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).