methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate

C14H15N3O2 — CID 43730278

IUPACmethyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)17-12-7-5-11(6-8-12)16-10-13-4-2-3-9-15-13/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyJLNITEHJPRXFGO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.87
Rot. Bonds4

About methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate

methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate (PubChem CID 43730278) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
PubChem CID43730278
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)17-12-7-5-11(6-8-12)16-10-13-4-2-3-9-15-13/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyJLNITEHJPRXFGO-UHFFFAOYSA-N
XLogP2.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
CID 173054324
methyl N-[4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]phenyl]carbamate
CID 110970081
methyl N-[4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 110970080
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
methyl 4-[[2-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109258769
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
N-(4-methoxyphenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235142
2-(2-methoxyphenoxy)-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027673
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
CID 112982951
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate (CID 43730278) is methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate is COC(=O)Nc1ccc(NCc2ccccn2)cc1.
What is the InChIKey of methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate?
The InChIKey is JLNITEHJPRXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-14(18)17-12-7-5-11(6-8-12)16-10-13-4-2-3-9-15-13/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate?
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 43730278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).