N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide

C20H25N3O2 — CID 111427174

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
SMILESO=C(CN(Cc1cccnc1)c1ccccc1)NCC1(O)CCCC1
InChIInChI=1S/C20H25N3O2/c24-19(22-16-20(25)10-4-5-11-20)15-23(18-8-2-1-3-9-18)14-17-7-6-12-21-13-17/h1-3,6-9,12-13,25H,4-5,10-11,14-16H2,(H,22,24)
InChIKeyQJCBSPTXILHYCP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.51
Rot. Bonds7

About N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide

N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide (PubChem CID 111427174) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
PubChem CID111427174
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
SMILESO=C(CN(Cc1cccnc1)c1ccccc1)NCC1(O)CCCC1
InChIInChI=1S/C20H25N3O2/c24-19(22-16-20(25)10-4-5-11-20)15-23(18-8-2-1-3-9-18)14-17-7-6-12-21-13-17/h1-3,6-9,12-13,25H,4-5,10-11,14-16H2,(H,22,24)
InChIKeyQJCBSPTXILHYCP-UHFFFAOYSA-N
XLogP2.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119568018
N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119433679
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119537580
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 124941960
1-(1,4-diazepan-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 119418185
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-3-ylacetamide
CID 75381637
N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119584746
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
(2R,3R)-2-methyl-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-3-carboxylic acid
CID 122116407

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide (CID 111427174) is N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide is O=C(CN(Cc1cccnc1)c1ccccc1)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide?
The InChIKey is QJCBSPTXILHYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(22-16-20(25)10-4-5-11-20)15-23(18-8-2-1-3-9-18)14-17-7-6-12-21-13-17/h1-3,6-9,12-13,25H,4-5,10-11,14-16H2,(H,22,24).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide?
N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide is sourced from PubChem (CID 111427174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).