3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide

C19H25N3O2 — CID 82153720

IUPAC3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide
SMILESCC(C)CCOc1ccc(CCC(=O)Nc2cccnc2)cc1N
InChIInChI=1S/C19H25N3O2/c1-14(2)9-11-24-18-7-5-15(12-17(18)20)6-8-19(23)22-16-4-3-10-21-13-16/h3-5,7,10,12-14H,6,8-9,11,20H2,1-2H3,(H,22,23)
InChIKeyALMJJJRKDSJISJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.66
Rot. Bonds8

About 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide

3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide (PubChem CID 82153720) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide
PubChem CID82153720
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide
SMILESCC(C)CCOc1ccc(CCC(=O)Nc2cccnc2)cc1N
InChIInChI=1S/C19H25N3O2/c1-14(2)9-11-24-18-7-5-15(12-17(18)20)6-8-19(23)22-16-4-3-10-21-13-16/h3-5,7,10,12-14H,6,8-9,11,20H2,1-2H3,(H,22,23)
InChIKeyALMJJJRKDSJISJ-UHFFFAOYSA-N
XLogP3.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
5-ethyl-2-(3-methylbutoxy)aniline
CID 54853197
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide (CID 82153720) is 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide is CC(C)CCOc1ccc(CCC(=O)Nc2cccnc2)cc1N.
What is the InChIKey of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide?
The InChIKey is ALMJJJRKDSJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)9-11-24-18-7-5-15(12-17(18)20)6-8-19(23)22-16-4-3-10-21-13-16/h3-5,7,10,12-14H,6,8-9,11,20H2,1-2H3,(H,22,23).
What are the key properties of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide?
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide has a molecular weight of 327.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 82153720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).