N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide

C19H25N3O — CID 113015098

IUPACN-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
SMILESCC(C)CCNc1ccc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-15(2)12-13-20-18-10-9-17(14-21-18)22-19(23)11-8-16-6-4-3-5-7-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFPNNYNXWVKLWDL-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.11
Rot. Bonds8

About N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide

N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide (PubChem CID 113015098) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
PubChem CID113015098
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
SMILESCC(C)CCNc1ccc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-15(2)12-13-20-18-10-9-17(14-21-18)22-19(23)11-8-16-6-4-3-5-7-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFPNNYNXWVKLWDL-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide
CID 113015117
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019912
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide (CID 113015098) is N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide is CC(C)CCNc1ccc(NC(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is FPNNYNXWVKLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(2)12-13-20-18-10-9-17(14-21-18)22-19(23)11-8-16-6-4-3-5-7-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide?
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 113015098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).