tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate

C22H31N5O3 — CID 137258135

IUPACtert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3C)nc2)n1
InChIInChI=1S/C22H31N5O3/c1-6-16-12-19(28)26-20(24-16)15-7-8-18(23-13-15)27-10-9-17(11-14(27)2)25-21(29)30-22(3,4)5/h7-8,12-14,17H,6,9-11H2,1-5H3,(H,25,29)(H,24,26,28)
InChIKeyVWNATMZSCYBKDU-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate (PubChem CID 137258135) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate
PubChem CID137258135
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Nametert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3C)nc2)n1
InChIInChI=1S/C22H31N5O3/c1-6-16-12-19(28)26-20(24-16)15-7-8-18(23-13-15)27-10-9-17(11-14(27)2)25-21(29)30-22(3,4)5/h7-8,12-14,17H,6,9-11H2,1-5H3,(H,25,29)(H,24,26,28)
InChIKeyVWNATMZSCYBKDU-UHFFFAOYSA-N
XLogP3.28
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate with MolForge

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Related Compounds

2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136581628
tert-butyl N-[2-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 133395610
tert-butyl N-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395545
tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate
CID 133395591
tert-butyl N-[1-(1-chloroisoquinolin-3-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395576
tert-butyl N-[1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395587
tert-butyl N-[2-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 133395581
ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate
CID 137265079
tert-butyl N-[1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395634
tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate
CID 133395511
4-ethyl-2-[6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257680
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 167837262

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate (CID 137258135) is tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate is CCc1cc(=O)[nH]c(-c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3C)nc2)n1.
What is the InChIKey of tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate?
The InChIKey is VWNATMZSCYBKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-6-16-12-19(28)26-20(24-16)15-7-8-18(23-13-15)27-10-9-17(11-14(27)2)25-21(29)30-22(3,4)5/h7-8,12-14,17H,6,9-11H2,1-5H3,(H,25,29)(H,24,26,28).
What are the key properties of tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate has a molecular weight of 413.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 137258135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).