methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate

C14H15N3O2 — CID 123674082

IUPACmethyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate
SMILESCNc1cc(-c2cccc(NC(=O)OC)c2)ccn1
InChIInChI=1S/C14H15N3O2/c1-15-13-9-11(6-7-16-13)10-4-3-5-12(8-10)17-14(18)19-2/h3-9H,1-2H3,(H,15,16)(H,17,18)
InChIKeyQVGVLKMPEUCGDZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.97
Rot. Bonds3

About methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate

methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate (PubChem CID 123674082) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate
PubChem CID123674082
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate
SMILESCNc1cc(-c2cccc(NC(=O)OC)c2)ccn1
InChIInChI=1S/C14H15N3O2/c1-15-13-9-11(6-7-16-13)10-4-3-5-12(8-10)17-14(18)19-2/h3-9H,1-2H3,(H,15,16)(H,17,18)
InChIKeyQVGVLKMPEUCGDZ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate
CID 71233268
methyl N-[3-(3-nitrophenyl)phenyl]carbamate
CID 110459530
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N-[2-(methylamino)-4-pyridinyl]acetamide
CID 118178199
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465
2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol
CID 123437393
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
4-(3-ethylphenyl)-N-methylpyridin-2-amine
CID 123399448
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
N-methyl-4-pyridin-3-ylpyridin-2-amine
CID 56965171
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate (CID 123674082) is methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate is CNc1cc(-c2cccc(NC(=O)OC)c2)ccn1.
What is the InChIKey of methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate?
The InChIKey is QVGVLKMPEUCGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-15-13-9-11(6-7-16-13)10-4-3-5-12(8-10)17-14(18)19-2/h3-9H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate?
methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 123674082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).