tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate

C20H24N4O3 — CID 169003461

IUPACtert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
SMILESCN1Cc2c(-c3cccc(CNC(=O)OC(C)(C)C)c3)ccnc2NC1=O
InChIInChI=1S/C20H24N4O3/c1-20(2,3)27-19(26)22-11-13-6-5-7-14(10-13)15-8-9-21-17-16(15)12-24(4)18(25)23-17/h5-10H,11-12H2,1-4H3,(H,22,26)(H,21,23,25)
InChIKeyBSZOBLRLQVFOFV-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.75
Rot. Bonds3

About tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate

tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate (PubChem CID 169003461) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
PubChem CID169003461
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nametert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
SMILESCN1Cc2c(-c3cccc(CNC(=O)OC(C)(C)C)c3)ccnc2NC1=O
InChIInChI=1S/C20H24N4O3/c1-20(2,3)27-19(26)22-11-13-6-5-7-14(10-13)15-8-9-21-17-16(15)12-24(4)18(25)23-17/h5-10H,11-12H2,1-4H3,(H,22,26)(H,21,23,25)
InChIKeyBSZOBLRLQVFOFV-UHFFFAOYSA-N
XLogP3.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563751
tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate
CID 169003419
tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
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tert-butyl N-[[3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)pyrimidin-5-yl]phenyl]methyl]carbamate
CID 118132574
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
CID 170714712
tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
CID 164563691
methyl 7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1,3-benzoxazole-5-carboxylate
CID 138491589
tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563752
2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid
CID 171364727
tert-butyl N-[[3-[[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate
CID 135542913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate (CID 169003461) is tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate is CN1Cc2c(-c3cccc(CNC(=O)OC(C)(C)C)c3)ccnc2NC1=O.
What is the InChIKey of tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
The InChIKey is BSZOBLRLQVFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,3)27-19(26)22-11-13-6-5-7-14(10-13)15-8-9-21-17-16(15)12-24(4)18(25)23-17/h5-10H,11-12H2,1-4H3,(H,22,26)(H,21,23,25).
What are the key properties of tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate has a molecular weight of 368.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 169003461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).