N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C19H23N5O2 — CID 8616057

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N5O2/c20-7-4-9-24(15-17-5-3-14-26-17)19(25)16-22-10-12-23(13-11-22)18-6-1-2-8-21-18/h1-3,5-6,8,14H,4,9-13,15-16H2
InChIKeyMMVUQZCFERBKBB-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.74
Rot. Bonds7

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 8616057) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID8616057
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N5O2/c20-7-4-9-24(15-17-5-3-14-26-17)19(25)16-22-10-12-23(13-11-22)18-6-1-2-8-21-18/h1-3,5-6,8,14H,4,9-13,15-16H2
InChIKeyMMVUQZCFERBKBB-UHFFFAOYSA-N
XLogP1.74
TPSA76.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94409683
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 166434939
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-(2-cyanoethyl)-2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 39973526
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846442
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17431599
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38898878
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 8616057) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is N#CCCN(Cc1ccco1)C(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is MMVUQZCFERBKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-7-4-9-24(15-17-5-3-14-26-17)19(25)16-22-10-12-23(13-11-22)18-6-1-2-8-21-18/h1-3,5-6,8,14H,4,9-13,15-16H2.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8616057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).