tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate

C17H27N3O3 — CID 118957680

IUPACtert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate
SMILESCOc1cc(CN[C@@H](C)C2CC2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-11(13-6-7-13)18-9-12-8-14(22-5)15(19-10-12)20-16(21)23-17(2,3)4/h8,10-11,13,18H,6-7,9H2,1-5H3,(H,19,20,21)/t11-/m0/s1
InChIKeyUZILQGJVYFEFIL-NSHDSACASA-N
MW321.42 g/mol
LogP3.33
Rot. Bonds6

About tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate

tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate (PubChem CID 118957680) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate
PubChem CID118957680
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate
SMILESCOc1cc(CN[C@@H](C)C2CC2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-11(13-6-7-13)18-9-12-8-14(22-5)15(19-10-12)20-16(21)23-17(2,3)4/h8,10-11,13,18H,6-7,9H2,1-5H3,(H,19,20,21)/t11-/m0/s1
InChIKeyUZILQGJVYFEFIL-NSHDSACASA-N
XLogP3.33
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
CID 97307154
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
[5-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 123134912
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
CID 170730393
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
CID 117451587

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate (CID 118957680) is tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate is COc1cc(CN[C@@H](C)C2CC2)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate?
The InChIKey is UZILQGJVYFEFIL-NSHDSACASA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11(13-6-7-13)18-9-12-8-14(22-5)15(19-10-12)20-16(21)23-17(2,3)4/h8,10-11,13,18H,6-7,9H2,1-5H3,(H,19,20,21)/t11-/m0/s1.
What are the key properties of tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate?
tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate is sourced from PubChem (CID 118957680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).