2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

C22H29N3O — CID 30832005

IUPAC2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C22H29N3O/c1-2-3-6-18-7-9-19(10-8-18)15-22(26)24-17-20-11-12-21(23-16-20)25-13-4-5-14-25/h7-12,16H,2-6,13-15,17H2,1H3,(H,24,26)
InChIKeyRXHHHFPKELMSSZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.88
Rot. Bonds8

About 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 30832005) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID30832005
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C22H29N3O/c1-2-3-6-18-7-9-19(10-8-18)15-22(26)24-17-20-11-12-21(23-16-20)25-13-4-5-14-25/h7-12,16H,2-6,13-15,17H2,1H3,(H,24,26)
InChIKeyRXHHHFPKELMSSZ-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55847000
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (CID 30832005) is 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is CCCCc1ccc(CC(=O)NCc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is RXHHHFPKELMSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-3-6-18-7-9-19(10-8-18)15-22(26)24-17-20-11-12-21(23-16-20)25-13-4-5-14-25/h7-12,16H,2-6,13-15,17H2,1H3,(H,24,26).
What are the key properties of 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 30832005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).