N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide

C18H23N3O2 — CID 113013351

IUPACN-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCc2ccccc2OC)nc1
InChIInChI=1S/C18H23N3O2/c1-3-6-18(22)21-15-9-10-17(20-13-15)19-12-11-14-7-4-5-8-16(14)23-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJPFQFTRSBMVLMN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.48
Rot. Bonds8

About N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide

N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide (PubChem CID 113013351) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
PubChem CID113013351
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCc2ccccc2OC)nc1
InChIInChI=1S/C18H23N3O2/c1-3-6-18(22)21-15-9-10-17(20-13-15)19-12-11-14-7-4-5-8-16(14)23-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJPFQFTRSBMVLMN-UHFFFAOYSA-N
XLogP3.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113027345
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide?
The IUPAC name of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide (CID 113013351) is N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(NCCc2ccccc2OC)nc1.
What is the InChIKey of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide?
The InChIKey is JPFQFTRSBMVLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-6-18(22)21-15-9-10-17(20-13-15)19-12-11-14-7-4-5-8-16(14)23-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide?
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide is sourced from PubChem (CID 113013351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).