tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate

C18H21N3O4 — CID 12069537

IUPACtert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
SMILESCOc1ccc(C(=O)Nc2cnccc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)21-14-9-10-19-11-15(14)20-16(22)12-5-7-13(24-4)8-6-12/h5-11H,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyOFWUPCMZBMNGBX-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate

tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate (PubChem CID 12069537) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
PubChem CID12069537
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nametert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
SMILESCOc1ccc(C(=O)Nc2cnccc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)21-14-9-10-19-11-15(14)20-16(22)12-5-7-13(24-4)8-6-12/h5-11H,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyOFWUPCMZBMNGBX-UHFFFAOYSA-N
XLogP3.69
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-formyl-4-pyridinyl)-4-methoxybenzamide
CID 170144141
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate
CID 22668094
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
CID 170596502
tert-butyl N-[2-[[4-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]benzoyl]amino]phenyl]carbamate
CID 42625815
tert-butyl N-[6-[(3-bromo-4-pyridinyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
CID 57412036

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate (CID 12069537) is tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate is COc1ccc(C(=O)Nc2cnccc2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate?
The InChIKey is OFWUPCMZBMNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)21-14-9-10-19-11-15(14)20-16(22)12-5-7-13(24-4)8-6-12/h5-11H,1-4H3,(H,20,22)(H,19,21,23).
What are the key properties of tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate?
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate has a molecular weight of 343.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate is sourced from PubChem (CID 12069537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).