tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate

C17H21N3O3 — CID 113019334

IUPACtert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
SMILESCOc1ccccc1Nc1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)23-16(21)19-12-9-10-15(18-11-12)20-13-7-5-6-8-14(13)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyCJDCAMNESRDBPN-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.18
Rot. Bonds4

About tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate

tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate (PubChem CID 113019334) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
PubChem CID113019334
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nametert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
SMILESCOc1ccccc1Nc1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)23-16(21)19-12-9-10-15(18-11-12)20-13-7-5-6-8-14(13)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyCJDCAMNESRDBPN-UHFFFAOYSA-N
XLogP4.18
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
CID 113021128
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019828
tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
CID 46556125
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate (CID 113019334) is tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate is COc1ccccc1Nc1ccc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate?
The InChIKey is CJDCAMNESRDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,3)23-16(21)19-12-9-10-15(18-11-12)20-13-7-5-6-8-14(13)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate has a molecular weight of 315.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113019334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).