methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

C17H19N3O3 — CID 112520824

IUPACmethyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2cc(C)ccc2C)ccn1
InChIInChI=1S/C17H19N3O3/c1-11-4-5-12(2)15(8-11)20-16(21)13-6-7-18-14(9-13)10-19-17(22)23-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZFVQBOVQBRSOMF-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.81
Rot. Bonds4

About methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (PubChem CID 112520824) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
PubChem CID112520824
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2cc(C)ccc2C)ccn1
InChIInChI=1S/C17H19N3O3/c1-11-4-5-12(2)15(8-11)20-16(21)13-6-7-18-14(9-13)10-19-17(22)23-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZFVQBOVQBRSOMF-UHFFFAOYSA-N
XLogP2.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate 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

ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521455
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
4-N-(2,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085961
methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112523133
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethylanilino)pyridine-4-carboxamide
CID 109176642
methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520281
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (CID 112520824) is methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is COC(=O)NCc1cc(C(=O)Nc2cc(C)ccc2C)ccn1.
What is the InChIKey of methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is ZFVQBOVQBRSOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-4-5-12(2)15(8-11)20-16(21)13-6-7-18-14(9-13)10-19-17(22)23-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 313.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112520824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).