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

C16H19N5O — CID 95844568

IUPAC1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1c1nccnc1Nc1ccccn1
InChIInChI=1S/C16H19N5O/c1-2-14(22)21-11-5-6-12(21)15-16(19-10-9-18-15)20-13-7-3-4-8-17-13/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,17,19,20)/t12-/m1/s1
InChIKeyKKEPFKKCRNHRSA-GFCCVEGCSA-N
MW297.36 g/mol
LogP2.69
Rot. Bonds4

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

1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95844568) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95844568
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1c1nccnc1Nc1ccccn1
InChIInChI=1S/C16H19N5O/c1-2-14(22)21-11-5-6-12(21)15-16(19-10-9-18-15)20-13-7-3-4-8-17-13/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,17,19,20)/t12-/m1/s1
InChIKeyKKEPFKKCRNHRSA-GFCCVEGCSA-N
XLogP2.69
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95844542
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821995
2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844524
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822617
2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110111578
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
(1-methylimidazol-4-yl)-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 132765302
1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110258426

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95844568) is 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1c1nccnc1Nc1ccccn1.
What is the InChIKey of 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is KKEPFKKCRNHRSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-14(22)21-11-5-6-12(21)15-16(19-10-9-18-15)20-13-7-3-4-8-17-13/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,17,19,20)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 297.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95844568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).