tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate

C20H31N5O3 — CID 135916452

IUPACtert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C3=NCCCC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H31N5O3/c1-13(22-19(27)28-20(2,3)4)11-25-10-8-15-14(12-25)18(26)24-17(23-15)16-7-5-6-9-21-16/h13H,5-12H2,1-4H3,(H,22,27)(H,23,24,26)
InChIKeyYEMPFPSMODIHPS-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate

tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate (PubChem CID 135916452) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate
PubChem CID135916452
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Nametert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C3=NCCCC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H31N5O3/c1-13(22-19(27)28-20(2,3)4)11-25-10-8-15-14(12-25)18(26)24-17(23-15)16-7-5-6-9-21-16/h13H,5-12H2,1-4H3,(H,22,27)(H,23,24,26)
InChIKeyYEMPFPSMODIHPS-UHFFFAOYSA-N
XLogP2.01
TPSA99.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[4-oxo-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate
CID 135916450
6-Acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796284
Tert-butyl 2-ethyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 159533896
tert-butyl 2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 160035559
N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
CID 95807299
tert-butyl N-[2-(4-oxo-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865873
tert-butyl N-[2-(2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865877
tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865880
tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865883
tert-butyl N-[2-(4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865884
tert-butyl N-[2-(2-tert-butyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865885
tert-butyl N-[2-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate
CID 135865890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate (CID 135916452) is tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate is CC(CN1CCc2nc(C3=NCCCC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate?
The InChIKey is YEMPFPSMODIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-13(22-19(27)28-20(2,3)4)11-25-10-8-15-14(12-25)18(26)24-17(23-15)16-7-5-6-9-21-16/h13H,5-12H2,1-4H3,(H,22,27)(H,23,24,26).
What are the key properties of tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate?
tert-butyl N-[1-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate has a molecular weight of 389.50 g/mol, XLogP of 2.01, 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-[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propan-2-yl]carbamate is sourced from PubChem (CID 135916452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).