3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide

C15H17N3O — CID 63669494

IUPAC3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
SMILESCc1cnccc1NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-11-10-17-9-8-14(11)18-15(19)7-4-12-2-5-13(16)6-3-12/h2-3,5-6,8-10H,4,7,16H2,1H3,(H,17,18,19)
InChIKeyWIZARCNXZXHKIE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.54
Rot. Bonds4

About 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide

3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide (PubChem CID 63669494) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
PubChem CID63669494
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
SMILESCc1cnccc1NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-11-10-17-9-8-14(11)18-15(19)7-4-12-2-5-13(16)6-3-12/h2-3,5-6,8-10H,4,7,16H2,1H3,(H,17,18,19)
InChIKeyWIZARCNXZXHKIE-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63670710
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
CID 63667624
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane
CID 143234356
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide (CID 63669494) is 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide is Cc1cnccc1NC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide?
The InChIKey is WIZARCNXZXHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-10-17-9-8-14(11)18-15(19)7-4-12-2-5-13(16)6-3-12/h2-3,5-6,8-10H,4,7,16H2,1H3,(H,17,18,19).
What are the key properties of 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide?
3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide is sourced from PubChem (CID 63669494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).