[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid

C18H21N3O3 — CID 121363350

IUPAC[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
SMILESCC(=O)Nc1cc(-c2ccc(N(C(=O)O)C(C)(C)C)cc2)ccn1
InChIInChI=1S/C18H21N3O3/c1-12(22)20-16-11-14(9-10-19-16)13-5-7-15(8-6-13)21(17(23)24)18(2,3)4/h5-11H,1-4H3,(H,23,24)(H,19,20,22)
InChIKeyZMYZOPFZFCUKKM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.99
Rot. Bonds3

About [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid

[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid (PubChem CID 121363350) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
PubChem CID121363350
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
SMILESCC(=O)Nc1cc(-c2ccc(N(C(=O)O)C(C)(C)C)cc2)ccn1
InChIInChI=1S/C18H21N3O3/c1-12(22)20-16-11-14(9-10-19-16)13-5-7-15(8-6-13)21(17(23)24)18(2,3)4/h5-11H,1-4H3,(H,23,24)(H,19,20,22)
InChIKeyZMYZOPFZFCUKKM-UHFFFAOYSA-N
XLogP3.99
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
CID 58094790
N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 159265586
N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
CID 138525024
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide
CID 144889218
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007
[2-[2-(3-aminophenyl)ethenyl]-4-pyridinyl]-tert-butylcarbamic acid
CID 66880867
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid?
The IUPAC name of [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid (CID 121363350) is [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid.
What is the SMILES notation for [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid?
The canonical SMILES for [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid is CC(=O)Nc1cc(-c2ccc(N(C(=O)O)C(C)(C)C)cc2)ccn1.
What is the InChIKey of [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid?
The InChIKey is ZMYZOPFZFCUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(22)20-16-11-14(9-10-19-16)13-5-7-15(8-6-13)21(17(23)24)18(2,3)4/h5-11H,1-4H3,(H,23,24)(H,19,20,22).
What are the key properties of [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid?
[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid has a molecular weight of 327.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid is sourced from PubChem (CID 121363350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).