N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

C21H34N4O3 — CID 166613163

IUPACN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(CN3CCC(C)CC3)o2)N1C
InChIInChI=1S/C21H34N4O3/c1-15-8-10-25(11-9-15)14-18-6-7-19(28-18)21(27)23-13-17-5-4-16(24(17)3)12-20(26)22-2/h6-7,15-17H,4-5,8-14H2,1-3H3,(H,22,26)(H,23,27)/t16-,17+/m1/s1
InChIKeyFBUJHLMQAZHJET-SJORKVTESA-N
MW390.53 g/mol
LogP1.84
Rot. Bonds7

About N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 166613163) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
PubChem CID166613163
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(CN3CCC(C)CC3)o2)N1C
InChIInChI=1S/C21H34N4O3/c1-15-8-10-25(11-9-15)14-18-6-7-19(28-18)21(27)23-13-17-5-4-16(24(17)3)12-20(26)22-2/h6-7,15-17H,4-5,8-14H2,1-3H3,(H,22,26)(H,23,27)/t16-,17+/m1/s1
InChIKeyFBUJHLMQAZHJET-SJORKVTESA-N
XLogP1.84
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-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-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
CID 165422911
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 165422149
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
CID 154895469
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-(hydroxymethyl)-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]pyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 171385641
5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 131951497
N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 46956995
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
CID 165427598
5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
CID 42850909

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (CID 166613163) is N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(CN3CCC(C)CC3)o2)N1C.
What is the InChIKey of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is FBUJHLMQAZHJET-SJORKVTESA-N. The full InChI is InChI=1S/C21H34N4O3/c1-15-8-10-25(11-9-15)14-18-6-7-19(28-18)21(27)23-13-17-5-4-16(24(17)3)12-20(26)22-2/h6-7,15-17H,4-5,8-14H2,1-3H3,(H,22,26)(H,23,27)/t16-,17+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 166613163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).