N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide

C20H20N4O4 — CID 86925104

IUPACN-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cn1
InChIInChI=1S/C20H20N4O4/c1-27-18-9-6-15(12-21-18)13-23-20(26)22-11-14-4-7-16(8-5-14)24-19(25)17-3-2-10-28-17/h2-10,12H,11,13H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyYWFZXROKPSDTRI-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.93
Rot. Bonds7

About N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 86925104) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID86925104
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cn1
InChIInChI=1S/C20H20N4O4/c1-27-18-9-6-15(12-21-18)13-23-20(26)22-11-14-4-7-16(8-5-14)24-19(25)17-3-2-10-28-17/h2-10,12H,11,13H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyYWFZXROKPSDTRI-UHFFFAOYSA-N
XLogP2.93
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 62991565
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide
CID 76867602
N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700864
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 24618608

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide (CID 86925104) is N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide is COc1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cn1.
What is the InChIKey of N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is YWFZXROKPSDTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-18-9-6-15(12-21-18)13-23-20(26)22-11-14-4-7-16(8-5-14)24-19(25)17-3-2-10-28-17/h2-10,12H,11,13H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86925104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).