3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one

C19H25N5O — CID 175652345

IUPAC3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCC(c2cnccn2)CC1)Cc1ccccn1
InChIInChI=1S/C19H25N5O/c1-23(15-17-4-2-3-8-21-17)11-7-19(25)24-12-5-16(6-13-24)18-14-20-9-10-22-18/h2-4,8-10,14,16H,5-7,11-13,15H2,1H3
InChIKeyKOKYPENSJLSABM-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.10
Rot. Bonds6

About 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one

3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 175652345) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
PubChem CID175652345
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCC(c2cnccn2)CC1)Cc1ccccn1
InChIInChI=1S/C19H25N5O/c1-23(15-17-4-2-3-8-21-17)11-7-19(25)24-12-5-16(6-13-24)18-14-20-9-10-22-18/h2-4,8-10,14,16H,5-7,11-13,15H2,1H3
InChIKeyKOKYPENSJLSABM-UHFFFAOYSA-N
XLogP2.10
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982556
2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772022
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 124994173
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 110108763
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120225
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 92558506

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one (CID 175652345) is 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one is CN(CCC(=O)N1CCC(c2cnccn2)CC1)Cc1ccccn1.
What is the InChIKey of 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is KOKYPENSJLSABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23(15-17-4-2-3-8-21-17)11-7-19(25)24-12-5-16(6-13-24)18-14-20-9-10-22-18/h2-4,8-10,14,16H,5-7,11-13,15H2,1H3.
What are the key properties of 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 175652345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).