N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide

C25H30N6O — CID 95835450

IUPACN-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1cccc(Nc2cnccn2)n1
InChIInChI=1S/C25H30N6O/c1-19(2)31(17-20-8-4-3-5-9-20)25(32)18-30-15-7-11-22(30)21-10-6-12-23(28-21)29-24-16-26-13-14-27-24/h3-6,8-10,12-14,16,19,22H,7,11,15,17-18H2,1-2H3,(H,27,28,29)/t22-/m1/s1
InChIKeyRCUBZIWPLNDWCU-JOCHJYFZSA-N
MW430.56 g/mol
LogP4.19
Rot. Bonds8

About N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide

N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 95835450) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID95835450
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1cccc(Nc2cnccn2)n1
InChIInChI=1S/C25H30N6O/c1-19(2)31(17-20-8-4-3-5-9-20)25(32)18-30-15-7-11-22(30)21-10-6-12-23(28-21)29-24-16-26-13-14-27-24/h3-6,8-10,12-14,16,19,22H,7,11,15,17-18H2,1-2H3,(H,27,28,29)/t22-/m1/s1
InChIKeyRCUBZIWPLNDWCU-JOCHJYFZSA-N
XLogP4.19
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
N,N-dimethyl-2-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110097688
N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124971029
N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95835780
2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265205
N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 111106959
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
N-benzyl-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 27074533
N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95836194
N-benzyl-2-[(2S)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 95836518
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946146

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide (CID 95835450) is N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide is CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1cccc(Nc2cnccn2)n1.
What is the InChIKey of N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is RCUBZIWPLNDWCU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N6O/c1-19(2)31(17-20-8-4-3-5-9-20)25(32)18-30-15-7-11-22(30)21-10-6-12-23(28-21)29-24-16-26-13-14-27-24/h3-6,8-10,12-14,16,19,22H,7,11,15,17-18H2,1-2H3,(H,27,28,29)/t22-/m1/s1.
What are the key properties of N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 430.56 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95835450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).