methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate

C14H15N5O3 — CID 164908607

IUPACmethyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1OC
InChIInChI=1S/C14H15N5O3/c1-21-11-6-4-3-5-9(11)18-19-10-7-8-12(15)16-13(10)17-14(20)22-2/h3-8H,1-2H3,(H3,15,16,17,20)/b19-18+
InChIKeyKCSCTFJQIJKTFR-VHEBQXMUSA-N
MW301.31 g/mol
LogP3.27
Rot. Bonds4

About methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate

methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate (PubChem CID 164908607) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate
PubChem CID164908607
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Namemethyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1OC
InChIInChI=1S/C14H15N5O3/c1-21-11-6-4-3-5-9(11)18-19-10-7-8-12(15)16-13(10)17-14(20)22-2/h3-8H,1-2H3,(H3,15,16,17,20)/b19-18+
InChIKeyKCSCTFJQIJKTFR-VHEBQXMUSA-N
XLogP3.27
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-Ethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769331
1-(2,4-Dimethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769338
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1-(3-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769376
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
N-(2-methoxyphenyl)-N'-pyridin-2-yloxamide
CID 2907831
3-[(E)-(4-methoxyphenyl)azo]pyridine-2,6-diamine
CID 105268
ethyl N-[5-amino-3-[(4-methoxy-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 320742
1-(2-Methoxyphenyl)-3-(3-methylpyridin-2-yl)urea
CID 651733
N-(2-methoxyphenyl)-N'-2-pyrazinylurea
CID 6470803
N-(2-ethoxyphenyl)-N'-2-pyrazinylurea
CID 6466915

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate (CID 164908607) is methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate is COC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1OC.
What is the InChIKey of methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate?
The InChIKey is KCSCTFJQIJKTFR-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-21-11-6-4-3-5-9(11)18-19-10-7-8-12(15)16-13(10)17-14(20)22-2/h3-8H,1-2H3,(H3,15,16,17,20)/b19-18+.
What are the key properties of methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate?
methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate has a molecular weight of 301.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 164908607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).