1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C17H21N5O — CID 95822420

IUPAC1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C17H21N5O/c1-2-17(23)22-9-5-6-13(12-22)14-10-20-16(11-19-14)21-15-7-3-4-8-18-15/h3-4,7-8,10-11,13H,2,5-6,9,12H2,1H3,(H,18,20,21)/t13-/m1/s1
InChIKeyCVBZUICTNUMOKO-CYBMUJFWSA-N
MW311.39 g/mol
LogP2.73
Rot. Bonds4

About 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95822420) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95822420
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C17H21N5O/c1-2-17(23)22-9-5-6-13(12-22)14-10-20-16(11-19-14)21-15-7-3-4-8-18-15/h3-4,7-8,10-11,13H,2,5-6,9,12H2,1H3,(H,18,20,21)/t13-/m1/s1
InChIKeyCVBZUICTNUMOKO-CYBMUJFWSA-N
XLogP2.73
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one 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

1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
5-(1-ethylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110256139
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
(E)-1-[3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 132766485
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256273
2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820261
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813677
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 95822420) is 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1.
What is the InChIKey of 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CVBZUICTNUMOKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-17(23)22-9-5-6-13(12-22)14-10-20-16(11-19-14)21-15-7-3-4-8-18-15/h3-4,7-8,10-11,13H,2,5-6,9,12H2,1H3,(H,18,20,21)/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 311.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95822420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).