N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide

C17H28N4O3 — CID 125163780

IUPACN-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CC[C@@H](C)N2CCN(C)CC2)o1
InChIInChI=1S/C17H28N4O3/c1-13(21-10-8-20(3)9-11-21)4-7-16(22)19-12-14-5-6-15(24-14)17(23)18-2/h5-6,13H,4,7-12H2,1-3H3,(H,18,23)(H,19,22)/t13-/m1/s1
InChIKeyUMMFFCCSTNIIMG-CYBMUJFWSA-N
MW336.44 g/mol
LogP0.67
Rot. Bonds7

About N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide

N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide (PubChem CID 125163780) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
PubChem CID125163780
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CC[C@@H](C)N2CCN(C)CC2)o1
InChIInChI=1S/C17H28N4O3/c1-13(21-10-8-20(3)9-11-21)4-7-16(22)19-12-14-5-6-15(24-14)17(23)18-2/h5-6,13H,4,7-12H2,1-3H3,(H,18,23)(H,19,22)/t13-/m1/s1
InChIKeyUMMFFCCSTNIIMG-CYBMUJFWSA-N
XLogP0.67
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide with MolForge

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Related Compounds

formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide
CID 154905765
N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide
CID 125166646
5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
CID 50949888
(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 95557304
4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 91764415
5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 134706242
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 118786717
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-morpholin-4-ylpentanamide
CID 124753245
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide (CID 125163780) is N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide is CNC(=O)c1ccc(CNC(=O)CC[C@@H](C)N2CCN(C)CC2)o1.
What is the InChIKey of N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide?
The InChIKey is UMMFFCCSTNIIMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(21-10-8-20(3)9-11-21)4-7-16(22)19-12-14-5-6-15(24-14)17(23)18-2/h5-6,13H,4,7-12H2,1-3H3,(H,18,23)(H,19,22)/t13-/m1/s1.
What are the key properties of N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide?
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 125163780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).