N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide

C24H36N6O — CID 25373473

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ncccn2)CC1
InChIInChI=1S/C24H36N6O/c1-2-29-14-3-6-21(29)18-27-23(31)9-8-20-10-16-28(17-11-20)19-22-7-4-15-30(22)24-25-12-5-13-26-24/h4-5,7,12-13,15,20-21H,2-3,6,8-11,14,16-19H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeyHTHQTTGSZQJNSC-OAQYLSRUSA-N
MW424.59 g/mol
LogP2.86
Rot. Bonds9

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 25373473) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
PubChem CID25373473
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ncccn2)CC1
InChIInChI=1S/C24H36N6O/c1-2-29-14-3-6-21(29)18-27-23(31)9-8-20-10-16-28(17-11-20)19-22-7-4-15-30(22)24-25-12-5-13-26-24/h4-5,7,12-13,15,20-21H,2-3,6,8-11,14,16-19H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeyHTHQTTGSZQJNSC-OAQYLSRUSA-N
XLogP2.86
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide 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

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 25381201
N-(pyridin-3-ylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
CID 25288418
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]propanamide
CID 42117284
3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 45171992
3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 42526692
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]propanamide
CID 45219288
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide
CID 42458687
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 72886773
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]propanamide
CID 26394365
N-(oxolan-2-ylmethyl)-3-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]propanamide
CID 45241975
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]propanamide
CID 45215619
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide (CID 25373473) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide is CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccn2-c2ncccn2)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is HTHQTTGSZQJNSC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H36N6O/c1-2-29-14-3-6-21(29)18-27-23(31)9-8-20-10-16-28(17-11-20)19-22-7-4-15-30(22)24-25-12-5-13-26-24/h4-5,7,12-13,15,20-21H,2-3,6,8-11,14,16-19H2,1H3,(H,27,31)/t21-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 424.59 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25373473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).