[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid

C22H29N3O3 — CID 69443424

IUPAC[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
SMILESCc1ccc(-c2c(CC(N)=O)c(C)nc(CC(C)(C)C)c2CNC(=O)O)cc1
InChIInChI=1S/C22H29N3O3/c1-13-6-8-15(9-7-13)20-16(10-19(23)26)14(2)25-18(11-22(3,4)5)17(20)12-24-21(27)28/h6-9,24H,10-12H2,1-5H3,(H2,23,26)(H,27,28)
InChIKeyBJONONBVFYNZBY-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.75
Rot. Bonds6

About [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid

[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid (PubChem CID 69443424) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
PubChem CID69443424
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
SMILESCc1ccc(-c2c(CC(N)=O)c(C)nc(CC(C)(C)C)c2CNC(=O)O)cc1
InChIInChI=1S/C22H29N3O3/c1-13-6-8-15(9-7-13)20-16(10-19(23)26)14(2)25-18(11-22(3,4)5)17(20)12-24-21(27)28/h6-9,24H,10-12H2,1-5H3,(H2,23,26)(H,27,28)
InChIKeyBJONONBVFYNZBY-UHFFFAOYSA-N
XLogP3.75
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid (CID 69443424) is [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid is Cc1ccc(-c2c(CC(N)=O)c(C)nc(CC(C)(C)C)c2CNC(=O)O)cc1.
What is the InChIKey of [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid?
The InChIKey is BJONONBVFYNZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-13-6-8-15(9-7-13)20-16(10-19(23)26)14(2)25-18(11-22(3,4)5)17(20)12-24-21(27)28/h6-9,24H,10-12H2,1-5H3,(H2,23,26)(H,27,28).
What are the key properties of [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid?
[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid has a molecular weight of 383.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 69443424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).