methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate

C17H21N3O2 — CID 113018094

IUPACmethyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)13-7-5-6-8-14(13)20-15-10-9-12(11-18-15)19-16(21)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyVJNQQICBVSVGAZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.30
Rot. Bonds3

About methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate

methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate (PubChem CID 113018094) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
PubChem CID113018094
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namemethyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)13-7-5-6-8-14(13)20-15-10-9-12(11-18-15)19-16(21)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyVJNQQICBVSVGAZ-UHFFFAOYSA-N
XLogP4.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-cyclohexylurea
CID 113018093
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109163142
1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
CID 113032920
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate (CID 113018094) is methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nc1.
What is the InChIKey of methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate?
The InChIKey is VJNQQICBVSVGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)13-7-5-6-8-14(13)20-15-10-9-12(11-18-15)19-16(21)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate?
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113018094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).