methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate

C14H15N3O2 — CID 113031352

IUPACmethyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2C)cn1
InChIInChI=1S/C14H15N3O2/c1-10-5-3-4-6-12(10)16-11-7-8-13(15-9-11)17-14(18)19-2/h3-9,16H,1-2H3,(H,15,17,18)
InChIKeyXOVCKLGHJMPREC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.31
Rot. Bonds3

About methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate

methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate (PubChem CID 113031352) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
PubChem CID113031352
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2C)cn1
InChIInChI=1S/C14H15N3O2/c1-10-5-3-4-6-12(10)16-11-7-8-13(15-9-11)17-14(18)19-2/h3-9,16H,1-2H3,(H,15,17,18)
InChIKeyXOVCKLGHJMPREC-UHFFFAOYSA-N
XLogP3.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
CID 113035990
2-(2-methoxyphenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031340
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate (CID 113031352) is methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccccc2C)cn1.
What is the InChIKey of methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate?
The InChIKey is XOVCKLGHJMPREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-5-3-4-6-12(10)16-11-7-8-13(15-9-11)17-14(18)19-2/h3-9,16H,1-2H3,(H,15,17,18).
What are the key properties of methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate?
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113031352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).