N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide

C14H21N3O — CID 81409773

IUPACN-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-11(12-6-8-15-9-7-12)16-10-14(18)17-13-4-2-3-5-13/h6-9,11,13,16H,2-5,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyASQKFOKCAWHSBC-NSHDSACASA-N
MW247.34 g/mol
LogP1.79
Rot. Bonds5

About N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide

N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (PubChem CID 81409773) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
PubChem CID81409773
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-11(12-6-8-15-9-7-12)16-10-14(18)17-13-4-2-3-5-13/h6-9,11,13,16H,2-5,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyASQKFOKCAWHSBC-NSHDSACASA-N
XLogP1.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
N-cyclopentyl-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 97334723
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (CID 81409773) is N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is C[C@H](NCC(=O)NC1CCCC1)c1ccncc1.
What is the InChIKey of N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The InChIKey is ASQKFOKCAWHSBC-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(12-6-8-15-9-7-12)16-10-14(18)17-13-4-2-3-5-13/h6-9,11,13,16H,2-5,10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 81409773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).