N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide

C18H23N5O2 — CID 95107733

IUPACN-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide
SMILESCCCOc1nccnc1N1CC[C@H](NC(=O)Cc2cccnc2)C1
InChIInChI=1S/C18H23N5O2/c1-2-10-25-18-17(20-7-8-21-18)23-9-5-15(13-23)22-16(24)11-14-4-3-6-19-12-14/h3-4,6-8,12,15H,2,5,9-11,13H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyNKIZKGHFQHQTJR-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.60
Rot. Bonds7

About N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide

N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide (PubChem CID 95107733) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide
PubChem CID95107733
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide
SMILESCCCOc1nccnc1N1CC[C@H](NC(=O)Cc2cccnc2)C1
InChIInChI=1S/C18H23N5O2/c1-2-10-25-18-17(20-7-8-21-18)23-9-5-15(13-23)22-16(24)11-14-4-3-6-19-12-14/h3-4,6-8,12,15H,2,5,9-11,13H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyNKIZKGHFQHQTJR-HNNXBMFYSA-N
XLogP1.60
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
CID 53185666
1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
CID 53185753
2-cyclopentyl-N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 95107616
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 53185662
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-(4-ethyl-4-methylcyclohexyl)-2-pyridin-3-ylacetamide
CID 130233519
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone
CID 134122695

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide (CID 95107733) is N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide is CCCOc1nccnc1N1CC[C@H](NC(=O)Cc2cccnc2)C1.
What is the InChIKey of N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
The InChIKey is NKIZKGHFQHQTJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-10-25-18-17(20-7-8-21-18)23-9-5-15(13-23)22-16(24)11-14-4-3-6-19-12-14/h3-4,6-8,12,15H,2,5,9-11,13H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide has a molecular weight of 341.42 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 95107733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).