N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

C20H32N4O — CID 91772553

IUPACN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCC1CCN(C2CCCCC2)C1)Cc1ccncc1
InChIInChI=1S/C20H32N4O/c1-23(14-17-7-10-21-11-8-17)16-20(25)22-13-18-9-12-24(15-18)19-5-3-2-4-6-19/h7-8,10-11,18-19H,2-6,9,12-16H2,1H3,(H,22,25)
InChIKeyWZGPZJJPVAPHNP-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.28
Rot. Bonds7

About N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 91772553) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID91772553
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCC1CCN(C2CCCCC2)C1)Cc1ccncc1
InChIInChI=1S/C20H32N4O/c1-23(14-17-7-10-21-11-8-17)16-20(25)22-13-18-9-12-24(15-18)19-5-3-2-4-6-19/h7-8,10-11,18-19H,2-6,9,12-16H2,1H3,(H,22,25)
InChIKeyWZGPZJJPVAPHNP-UHFFFAOYSA-N
XLogP2.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 91839967
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-hydroxyphenyl)propanamide
CID 118774346
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (CID 91772553) is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is CN(CC(=O)NCC1CCN(C2CCCCC2)C1)Cc1ccncc1.
What is the InChIKey of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is WZGPZJJPVAPHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-23(14-17-7-10-21-11-8-17)16-20(25)22-13-18-9-12-24(15-18)19-5-3-2-4-6-19/h7-8,10-11,18-19H,2-6,9,12-16H2,1H3,(H,22,25).
What are the key properties of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 91772553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).