N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide

C17H28N4O — CID 118784045

IUPACN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
SMILESCC(C)CN1CCC(CN(C)C(=O)CCc2cnccn2)C1
InChIInChI=1S/C17H28N4O/c1-14(2)11-21-9-6-15(13-21)12-20(3)17(22)5-4-16-10-18-7-8-19-16/h7-8,10,14-15H,4-6,9,11-13H2,1-3H3
InChIKeyDAURMVIVQWKHQD-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.85
Rot. Bonds7

About N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide

N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide (PubChem CID 118784045) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
PubChem CID118784045
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
SMILESCC(C)CN1CCC(CN(C)C(=O)CCc2cnccn2)C1
InChIInChI=1S/C17H28N4O/c1-14(2)11-21-9-6-15(13-21)12-20(3)17(22)5-4-16-10-18-7-8-19-16/h7-8,10,14-15H,4-6,9,11-13H2,1-3H3
InChIKeyDAURMVIVQWKHQD-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]acetamide
CID 99974471
(4aS,8aR)-1-(2-methylpropyl)-6-(3-pyrazin-2-ylpropanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56897896
N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 131895239
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684
N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide
CID 167909987
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
tert-butyl 3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647808
2-(1-ethylpiperidin-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)acetamide
CID 72847502
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 72882396
5-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95823663

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide (CID 118784045) is N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide is CC(C)CN1CCC(CN(C)C(=O)CCc2cnccn2)C1.
What is the InChIKey of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
The InChIKey is DAURMVIVQWKHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(2)11-21-9-6-15(13-21)12-20(3)17(22)5-4-16-10-18-7-8-19-16/h7-8,10,14-15H,4-6,9,11-13H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide?
N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide has a molecular weight of 304.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 118784045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).