tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate

C17H27N3O4 — CID 49354339

IUPACtert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
SMILESCOc1c(C)cnc(CNC(=O)CCNC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C17H27N3O4/c1-11-9-19-13(12(2)15(11)23-6)10-20-14(21)7-8-18-16(22)24-17(3,4)5/h9H,7-8,10H2,1-6H3,(H,18,22)(H,20,21)
InChIKeyCIGWKMZCWJAMRR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.24
Rot. Bonds6

About tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate

tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate (PubChem CID 49354339) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
PubChem CID49354339
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
SMILESCOc1c(C)cnc(CNC(=O)CCNC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C17H27N3O4/c1-11-9-19-13(12(2)15(11)23-6)10-20-14(21)7-8-18-16(22)24-17(3,4)5/h9H,7-8,10H2,1-6H3,(H,18,22)(H,20,21)
InChIKeyCIGWKMZCWJAMRR-UHFFFAOYSA-N
XLogP2.24
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 49353764
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
tert-butyl N-[3-oxo-3-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethylamino]propyl]carbamate
CID 108919090
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
3-(benzimidazol-1-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
CID 131929542
1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea
CID 71878522
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94353106
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
CID 122135229
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
CID 49354766
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
CID 43310961
2,5-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide
CID 49354460

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate (CID 49354339) is tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate is COc1c(C)cnc(CNC(=O)CCNC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate?
The InChIKey is CIGWKMZCWJAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11-9-19-13(12(2)15(11)23-6)10-20-14(21)7-8-18-16(22)24-17(3,4)5/h9H,7-8,10H2,1-6H3,(H,18,22)(H,20,21).
What are the key properties of tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 2.24, 6 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-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 49354339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).