N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide

C17H21N3O2 — CID 119548878

IUPACN-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccnc1C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C17H21N3O2/c1-12(2)22-15-4-3-10-19-16(15)17(21)20-11-9-13-5-7-14(18)8-6-13/h3-8,10,12H,9,11,18H2,1-2H3,(H,20,21)
InChIKeyBYRDPYNYENKAFP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.42
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide

N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide (PubChem CID 119548878) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide
PubChem CID119548878
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccnc1C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C17H21N3O2/c1-12(2)22-15-4-3-10-19-16(15)17(21)20-11-9-13-5-7-14(18)8-6-13/h3-8,10,12H,9,11,18H2,1-2H3,(H,20,21)
InChIKeyBYRDPYNYENKAFP-UHFFFAOYSA-N
XLogP2.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 119384241
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120525138
N-[2-(4-aminophenyl)ethyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119549755
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120700865
3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 119362663
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
N-[2-(aminomethyl)cyclopentyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119603508
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119549060
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide (CID 119548878) is N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide is CC(C)Oc1cccnc1C(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide?
The InChIKey is BYRDPYNYENKAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)22-15-4-3-10-19-16(15)17(21)20-11-9-13-5-7-14(18)8-6-13/h3-8,10,12H,9,11,18H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide?
N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide is sourced from PubChem (CID 119548878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).