N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide

C18H25N5O — CID 86773787

IUPACN-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC(CNc3ccccn3)C2)CCCC1
InChIInChI=1S/C18H25N5O/c19-14-18(7-2-3-8-18)22-17(24)13-23-10-6-15(12-23)11-21-16-5-1-4-9-20-16/h1,4-5,9,15H,2-3,6-8,10-13H2,(H,20,21)(H,22,24)
InChIKeyJSMIOTXCTJHAAV-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.77
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 86773787) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
PubChem CID86773787
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC(CNc3ccccn3)C2)CCCC1
InChIInChI=1S/C18H25N5O/c19-14-18(7-2-3-8-18)22-17(24)13-23-10-6-15(12-23)11-21-16-5-1-4-9-20-16/h1,4-5,9,15H,2-3,6-8,10-13H2,(H,20,21)(H,22,24)
InChIKeyJSMIOTXCTJHAAV-UHFFFAOYSA-N
XLogP1.77
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide (CID 86773787) is N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCC(CNc3ccccn3)C2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is JSMIOTXCTJHAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-14-18(7-2-3-8-18)22-17(24)13-23-10-6-15(12-23)11-21-16-5-1-4-9-20-16/h1,4-5,9,15H,2-3,6-8,10-13H2,(H,20,21)(H,22,24).
What are the key properties of N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 86773787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).