N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide

C21H26ClN3O2 — CID 56752509

IUPACN-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NCc1cccnc1N1CCCCCCC1
InChIInChI=1S/C21H26ClN3O2/c22-18-13-16(8-9-19(18)26)14-20(27)24-15-17-7-6-10-23-21(17)25-11-4-2-1-3-5-12-25/h6-10,13,26H,1-5,11-12,14-15H2,(H,24,27)
InChIKeyRAFLXVHFGVKHAD-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.07
Rot. Bonds5

About N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide

N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide (PubChem CID 56752509) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
PubChem CID56752509
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NCc1cccnc1N1CCCCCCC1
InChIInChI=1S/C21H26ClN3O2/c22-18-13-16(8-9-19(18)26)14-20(27)24-15-17-7-6-10-23-21(17)25-11-4-2-1-3-5-12-25/h6-10,13,26H,1-5,11-12,14-15H2,(H,24,27)
InChIKeyRAFLXVHFGVKHAD-UHFFFAOYSA-N
XLogP4.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093862
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
2-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51093842
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219
1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 167827928
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55799150
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 167957186
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
(E)-3-(2-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 39248673

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
The IUPAC name of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide (CID 56752509) is N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)c(Cl)c1)NCc1cccnc1N1CCCCCCC1.
What is the InChIKey of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
The InChIKey is RAFLXVHFGVKHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-18-13-16(8-9-19(18)26)14-20(27)24-15-17-7-6-10-23-21(17)25-11-4-2-1-3-5-12-25/h6-10,13,26H,1-5,11-12,14-15H2,(H,24,27).
What are the key properties of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide has a molecular weight of 387.91 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 56752509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).