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

C14H15N5O — CID 95107441

IUPACpyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CC[C@@H](Nc2cccnc2)C1
InChIInChI=1S/C14H15N5O/c20-14(13-9-16-5-6-17-13)19-7-3-12(10-19)18-11-2-1-4-15-8-11/h1-2,4-6,8-9,12,18H,3,7,10H2/t12-/m1/s1
InChIKeyZWEPDLWOUFJUDJ-GFCCVEGCSA-N
MW269.31 g/mol
LogP1.20
Rot. Bonds3

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

pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 95107441) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
PubChem CID95107441
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Namepyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CC[C@@H](Nc2cccnc2)C1
InChIInChI=1S/C14H15N5O/c20-14(13-9-16-5-6-17-13)19-7-3-12(10-19)18-11-2-1-4-15-8-11/h1-2,4-6,8-9,12,18H,3,7,10H2/t12-/m1/s1
InChIKeyZWEPDLWOUFJUDJ-GFCCVEGCSA-N
XLogP1.20
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (CID 95107441) is pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is O=C(c1cnccn1)N1CC[C@@H](Nc2cccnc2)C1.
What is the InChIKey of pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is ZWEPDLWOUFJUDJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14(13-9-16-5-6-17-13)19-7-3-12(10-19)18-11-2-1-4-15-8-11/h1-2,4-6,8-9,12,18H,3,7,10H2/t12-/m1/s1.
What are the key properties of pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 269.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95107441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).