methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate

C15H17N3O3 — CID 113027448

IUPACmethyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H17N3O3/c1-20-13-6-3-11(4-7-13)9-16-12-5-8-14(17-10-12)18-15(19)21-2/h3-8,10,16H,9H2,1-2H3,(H,17,18,19)
InChIKeyHUNSUSKOKJRNQZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.88
Rot. Bonds5

About methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate

methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate (PubChem CID 113027448) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
PubChem CID113027448
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H17N3O3/c1-20-13-6-3-11(4-7-13)9-16-12-5-8-14(17-10-12)18-15(19)21-2/h3-8,10,16H,9H2,1-2H3,(H,17,18,19)
InChIKeyHUNSUSKOKJRNQZ-UHFFFAOYSA-N
XLogP2.88
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113027443
2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027442
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-[(4-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109190552
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate (CID 113027448) is methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(NCc2ccc(OC)cc2)cn1.
What is the InChIKey of methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
The InChIKey is HUNSUSKOKJRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-6-3-11(4-7-13)9-16-12-5-8-14(17-10-12)18-15(19)21-2/h3-8,10,16H,9H2,1-2H3,(H,17,18,19).
What are the key properties of methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113027448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).