N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide

C20H20N4O3 — CID 55852480

IUPACN-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)cn1
InChIInChI=1S/C20H20N4O3/c1-24(2)18-9-8-14(12-21-18)13-22-19(25)15-5-3-6-16(11-15)23-20(26)17-7-4-10-27-17/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRQJVFQAFXBEISD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.92
Rot. Bonds6

About N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55852480) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55852480
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)cn1
InChIInChI=1S/C20H20N4O3/c1-24(2)18-9-8-14(12-21-18)13-22-19(25)15-5-3-6-16(11-15)23-20(26)17-7-4-10-27-17/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRQJVFQAFXBEISD-UHFFFAOYSA-N
XLogP2.92
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 86836025
N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide
CID 55819545
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 55621111
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166
N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55840397
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
CID 32536301

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55852480) is N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide is CN(C)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)cn1.
What is the InChIKey of N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RQJVFQAFXBEISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-24(2)18-9-8-14(12-21-18)13-22-19(25)15-5-3-6-16(11-15)23-20(26)17-7-4-10-27-17/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55852480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).