N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide

C16H17N5O2 — CID 124966721

IUPACN-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2cnccn2)ccn1
InChIInChI=1S/C16H17N5O2/c1-11(22)20-15-9-12(4-5-19-15)16(23)21-8-2-3-14(21)13-10-17-6-7-18-13/h4-7,9-10,14H,2-3,8H2,1H3,(H,19,20,22)/t14-/m0/s1
InChIKeyINUMSFIGRXASIR-AWEZNQCLSA-N
MW311.35 g/mol
LogP1.81
Rot. Bonds3

About N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide

N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide (PubChem CID 124966721) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
PubChem CID124966721
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2cnccn2)ccn1
InChIInChI=1S/C16H17N5O2/c1-11(22)20-15-9-12(4-5-19-15)16(23)21-8-2-3-14(21)13-10-17-6-7-18-13/h4-7,9-10,14H,2-3,8H2,1H3,(H,19,20,22)/t14-/m0/s1
InChIKeyINUMSFIGRXASIR-AWEZNQCLSA-N
XLogP1.81
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127247023
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95841727
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
[2-(ethylamino)-4-pyridinyl]-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 155953260
N-[4-[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124996167
(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 125022626
(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110111645
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide (CID 124966721) is N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2cnccn2)ccn1.
What is the InChIKey of N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide?
The InChIKey is INUMSFIGRXASIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11(22)20-15-9-12(4-5-19-15)16(23)21-8-2-3-14(21)13-10-17-6-7-18-13/h4-7,9-10,14H,2-3,8H2,1H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide?
N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide has a molecular weight of 311.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 124966721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).