N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide

C18H17N3O3 — CID 99833568

IUPACN-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide
SMILESCOc1cccc(CNc2cccc(NC(=O)c3ccoc3)c2)n1
InChIInChI=1S/C18H17N3O3/c1-23-17-7-3-6-16(20-17)11-19-14-4-2-5-15(10-14)21-18(22)13-8-9-24-12-13/h2-10,12,19H,11H2,1H3,(H,21,22)
InChIKeyJPIQUODWMBIFKV-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.55
Rot. Bonds6

About N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide

N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide (PubChem CID 99833568) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide
PubChem CID99833568
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide
SMILESCOc1cccc(CNc2cccc(NC(=O)c3ccoc3)c2)n1
InChIInChI=1S/C18H17N3O3/c1-23-17-7-3-6-16(20-17)11-19-14-4-2-5-15(10-14)21-18(22)13-8-9-24-12-13/h2-10,12,19H,11H2,1H3,(H,21,22)
InChIKeyJPIQUODWMBIFKV-UHFFFAOYSA-N
XLogP3.55
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide
CID 75385267
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714
N-[3-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]phenyl]benzamide
CID 174385811
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid
CID 154803065
6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide (CID 99833568) is N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide is COc1cccc(CNc2cccc(NC(=O)c3ccoc3)c2)n1.
What is the InChIKey of N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide?
The InChIKey is JPIQUODWMBIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-17-7-3-6-16(20-17)11-19-14-4-2-5-15(10-14)21-18(22)13-8-9-24-12-13/h2-10,12,19H,11H2,1H3,(H,21,22).
What are the key properties of N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide?
N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 99833568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).