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

C18H27N3O — CID 91780791

IUPAC2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cc1cccnc1)NCC1(N2CCCC2)CCCCC1
InChIInChI=1S/C18H27N3O/c22-17(13-16-7-6-10-19-14-16)20-15-18(8-2-1-3-9-18)21-11-4-5-12-21/h6-7,10,14H,1-5,8-9,11-13,15H2,(H,20,22)
InChIKeyDWUPAGDRQASZNO-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.54
Rot. Bonds5

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

2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 91780791) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID91780791
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cc1cccnc1)NCC1(N2CCCC2)CCCCC1
InChIInChI=1S/C18H27N3O/c22-17(13-16-7-6-10-19-14-16)20-15-18(8-2-1-3-9-18)21-11-4-5-12-21/h6-7,10,14H,1-5,8-9,11-13,15H2,(H,20,22)
InChIKeyDWUPAGDRQASZNO-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 110123600
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
1-oxido-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridin-1-ium-2-carboxamide
CID 51116095
N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 91942523
(2R)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 126423361
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17490457
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
CID 66868100
CID 66868100
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide (CID 91780791) is 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide is O=C(Cc1cccnc1)NCC1(N2CCCC2)CCCCC1.
What is the InChIKey of 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is DWUPAGDRQASZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-17(13-16-7-6-10-19-14-16)20-15-18(8-2-1-3-9-18)21-11-4-5-12-21/h6-7,10,14H,1-5,8-9,11-13,15H2,(H,20,22).
What are the key properties of 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 91780791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).