N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide

C18H23N3O — CID 71705084

IUPACN-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESO=C(CC1(n2cccc2)CCCCC1)NCc1ccncc1
InChIInChI=1S/C18H23N3O/c22-17(20-15-16-6-10-19-11-7-16)14-18(8-2-1-3-9-18)21-12-4-5-13-21/h4-7,10-13H,1-3,8-9,14-15H2,(H,20,22)
InChIKeyBNNPHZLQJFZIII-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.25
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide

N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide (PubChem CID 71705084) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
PubChem CID71705084
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESO=C(CC1(n2cccc2)CCCCC1)NCc1ccncc1
InChIInChI=1S/C18H23N3O/c22-17(20-15-16-6-10-19-11-7-16)14-18(8-2-1-3-9-18)21-12-4-5-13-21/h4-7,10-13H,1-3,8-9,14-15H2,(H,20,22)
InChIKeyBNNPHZLQJFZIII-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71708810
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 91640664
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71827812
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 111430641
N-[(4-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328271
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 25403784
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide
CID 75412190
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397053

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide (CID 71705084) is N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide is O=C(CC1(n2cccc2)CCCCC1)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The InChIKey is BNNPHZLQJFZIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-17(20-15-16-6-10-19-11-7-16)14-18(8-2-1-3-9-18)21-12-4-5-13-21/h4-7,10-13H,1-3,8-9,14-15H2,(H,20,22).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 71705084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).