pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate

C16H19N3O2 — CID 3027952

IUPACpyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate
SMILESCc1ccccc1N(CN(C)C)C(=O)Oc1cccnc1
InChIInChI=1S/C16H19N3O2/c1-13-7-4-5-9-15(13)19(12-18(2)3)16(20)21-14-8-6-10-17-11-14/h4-11H,12H2,1-3H3
InChIKeyNQHFJJZOXFXZBI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.91
Rot. Bonds4

About pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate

pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate (PubChem CID 3027952) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Namepyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate
PubChem CID3027952
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namepyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate
SMILESCc1ccccc1N(CN(C)C)C(=O)Oc1cccnc1
InChIInChI=1S/C16H19N3O2/c1-13-7-4-5-9-15(13)19(12-18(2)3)16(20)21-14-8-6-10-17-11-14/h4-11H,12H2,1-3H3
InChIKeyNQHFJJZOXFXZBI-UHFFFAOYSA-N
XLogP2.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)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

pyridin-3-yl N-[(dimethylamino)methyl]-N-heptylcarbamate;dihydrochloride
CID 3027934
2-bromoethyl-[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]carbamic acid
CID 57235599
butane;pyridin-3-yl carbamate
CID 69137647
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57156318
2-pyridin-3-yloxybutanoic acid
CID 18796174
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
CID 138436775
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
pyridin-3-yl 2-pyridin-3-ylacetate
CID 142079829
2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 70449024
pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate
CID 87668895

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate?
The IUPAC name of pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate (CID 3027952) is pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate.
What is the SMILES notation for pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate?
The canonical SMILES for pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate is Cc1ccccc1N(CN(C)C)C(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate?
The InChIKey is NQHFJJZOXFXZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13-7-4-5-9-15(13)19(12-18(2)3)16(20)21-14-8-6-10-17-11-14/h4-11H,12H2,1-3H3.
What are the key properties of pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate?
pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate has a molecular weight of 285.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl N-[(dimethylamino)methyl]-N-(2-methylphenyl)carbamate is sourced from PubChem (CID 3027952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).