3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide

C23H25N3O2 — CID 113019912

IUPAC3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
SMILESCC(C)Oc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(2)28-21-12-9-19(10-13-21)25-22-14-11-20(16-24-22)26-23(27)15-8-18-6-4-3-5-7-18/h3-7,9-14,16-17H,8,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyQONNUQWJMVZTRI-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.18
Rot. Bonds8

About 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide

3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide (PubChem CID 113019912) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
PubChem CID113019912
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
SMILESCC(C)Oc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(2)28-21-12-9-19(10-13-21)25-22-14-11-20(16-24-22)26-23(27)15-8-18-6-4-3-5-7-18/h3-7,9-14,16-17H,8,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyQONNUQWJMVZTRI-UHFFFAOYSA-N
XLogP5.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
CID 113015098
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
The IUPAC name of 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide (CID 113019912) is 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
The canonical SMILES for 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide is CC(C)Oc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)cc1.
What is the InChIKey of 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
The InChIKey is QONNUQWJMVZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)28-21-12-9-19(10-13-21)25-22-14-11-20(16-24-22)26-23(27)15-8-18-6-4-3-5-7-18/h3-7,9-14,16-17H,8,15H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113019912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).