N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide

C17H22N6O — CID 124971029

IUPACN,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1
InChIInChI=1S/C17H22N6O/c1-22(2)17(24)12-23-9-3-4-14(23)13-5-6-19-15(10-13)21-16-11-18-7-8-20-16/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyJUANSSXHNNLKLZ-CQSZACIVSA-N
MW326.40 g/mol
LogP1.84
Rot. Bonds5

About N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide

N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 124971029) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID124971029
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1
InChIInChI=1S/C17H22N6O/c1-22(2)17(24)12-23-9-3-4-14(23)13-5-6-19-15(10-13)21-16-11-18-7-8-20-16/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyJUANSSXHNNLKLZ-CQSZACIVSA-N
XLogP1.84
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110097688
N-[4-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124946260
N-[4-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124946261
N-[4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 125004240
N-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110097759
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
N-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111526
(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110111645
N-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 127245198
(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125002680
N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124952288
N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95835450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide (CID 124971029) is N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide is CN(C)C(=O)CN1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1.
What is the InChIKey of N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is JUANSSXHNNLKLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22(2)17(24)12-23-9-3-4-14(23)13-5-6-19-15(10-13)21-16-11-18-7-8-20-16/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124971029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).