N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C17H23N5O — CID 56780729

IUPACN-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1C1CCCN1CC(=O)Nc1cccnc1
InChIInChI=1S/C17H23N5O/c1-12-17(13(2)21(3)20-12)15-7-5-9-22(15)11-16(23)19-14-6-4-8-18-10-14/h4,6,8,10,15H,5,7,9,11H2,1-3H3,(H,19,23)
InChIKeyATHOLVAUBUTYRN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.21
Rot. Bonds4

About N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 56780729) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID56780729
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1C1CCCN1CC(=O)Nc1cccnc1
InChIInChI=1S/C17H23N5O/c1-12-17(13(2)21(3)20-12)15-7-5-9-22(15)11-16(23)19-14-6-4-8-18-10-14/h4,6,8,10,15H,5,7,9,11H2,1-3H3,(H,19,23)
InChIKeyATHOLVAUBUTYRN-UHFFFAOYSA-N
XLogP2.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 56780729) is N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cc1nn(C)c(C)c1C1CCCN1CC(=O)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is ATHOLVAUBUTYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-17(13(2)21(3)20-12)15-7-5-9-22(15)11-16(23)19-14-6-4-8-18-10-14/h4,6,8,10,15H,5,7,9,11H2,1-3H3,(H,19,23).
What are the key properties of N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56780729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).