methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate

C15H16N4O3 — CID 113035161

IUPACmethyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C15H16N4O3/c1-10(20)17-11-4-3-5-12(8-11)18-13-6-7-14(16-9-13)19-15(21)22-2/h3-9,18H,1-2H3,(H,17,20)(H,16,19,21)
InChIKeyOUABQNIINDBOQP-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.96
Rot. Bonds4

About methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate

methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate (PubChem CID 113035161) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
PubChem CID113035161
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Namemethyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C15H16N4O3/c1-10(20)17-11-4-3-5-12(8-11)18-13-6-7-14(16-9-13)19-15(21)22-2/h3-9,18H,1-2H3,(H,17,20)(H,16,19,21)
InChIKeyOUABQNIINDBOQP-UHFFFAOYSA-N
XLogP2.96
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035163
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173
tert-butyl N-[5-(3-chloroanilino)-2-pyridinyl]carbamate
CID 113033323
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate (CID 113035161) is methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2cccc(NC(C)=O)c2)cn1.
What is the InChIKey of methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
The InChIKey is OUABQNIINDBOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10(20)17-11-4-3-5-12(8-11)18-13-6-7-14(16-9-13)19-15(21)22-2/h3-9,18H,1-2H3,(H,17,20)(H,16,19,21).
What are the key properties of methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate has a molecular weight of 300.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113035161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).