N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide

C23H25N5O4 — CID 70226757

IUPACN-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cccc(CNC(=O)c3cnccn3)c2)o1)C(C)C
InChIInChI=1S/C23H25N5O4/c1-14(2)20(23(31)24-3)28-22(30)19-8-7-18(32-19)16-6-4-5-15(11-16)12-27-21(29)17-13-25-9-10-26-17/h4-11,13-14,20H,12H2,1-3H3,(H,24,31)(H,27,29)(H,28,30)
InChIKeyWRGRPPGHYBWMQU-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.17
Rot. Bonds8

About N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide

N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 70226757) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID70226757
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cccc(CNC(=O)c3cnccn3)c2)o1)C(C)C
InChIInChI=1S/C23H25N5O4/c1-14(2)20(23(31)24-3)28-22(30)19-8-7-18(32-19)16-6-4-5-15(11-16)12-27-21(29)17-13-25-9-10-26-17/h4-11,13-14,20H,12H2,1-3H3,(H,24,31)(H,27,29)(H,28,30)
InChIKeyWRGRPPGHYBWMQU-UHFFFAOYSA-N
XLogP2.17
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide
CID 46207129
1,5-dimethyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 46207355
N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 91345166
5-[3-[[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 70225485
6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 58505398
2-methyl-N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-carboxamide
CID 76807302
3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
CID 90738182
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-2-carboxamide
CID 46207181
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
CID 76807224
2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 143994822
4,5-dimethyl-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
CID 58505322

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide (CID 70226757) is N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2cccc(CNC(=O)c3cnccn3)c2)o1)C(C)C.
What is the InChIKey of N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is WRGRPPGHYBWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14(2)20(23(31)24-3)28-22(30)19-8-7-18(32-19)16-6-4-5-15(11-16)12-27-21(29)17-13-25-9-10-26-17/h4-11,13-14,20H,12H2,1-3H3,(H,24,31)(H,27,29)(H,28,30).
What are the key properties of N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide?
N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70226757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).