3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C18H23N5O2 — CID 95822617

IUPAC3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C18H23N5O2/c1-25-13-7-16(24)23-11-5-14(6-12-23)17-18(21-10-9-20-17)22-15-4-2-3-8-19-15/h2-4,8-10,14H,5-7,11-13H2,1H3,(H,19,21,22)
InChIKeyAKYPQIAXWGOZTM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.36
Rot. Bonds6

About 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95822617) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95822617
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C18H23N5O2/c1-25-13-7-16(24)23-11-5-14(6-12-23)17-18(21-10-9-20-17)22-15-4-2-3-8-19-15/h2-4,8-10,14H,5-7,11-13H2,1H3,(H,19,21,22)
InChIKeyAKYPQIAXWGOZTM-UHFFFAOYSA-N
XLogP2.36
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821995
1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821987
1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844568
3-methoxy-1-[(3R)-3-[[6-(pyridin-2-ylamino)-2-pyridinyl]methyl]piperidin-1-yl]propan-1-one
CID 95823817
4-[3-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazin-2-yl]oxybenzamide
CID 95822596
3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
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N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide
CID 92550579
1-[4-(2-aminophenyl)piperidin-1-yl]-3-methoxypropan-1-one
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3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
CID 175657740
3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
CID 127251253
2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
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4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 95822617) is 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1.
What is the InChIKey of 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is AKYPQIAXWGOZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-13-7-16(24)23-11-5-14(6-12-23)17-18(21-10-9-20-17)22-15-4-2-3-8-19-15/h2-4,8-10,14H,5-7,11-13H2,1H3,(H,19,21,22).
What are the key properties of 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95822617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).