tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate

C19H24N6O2 — CID 129251066

IUPACtert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CNC[C@@](NC(=O)OC(C)(C)C)(c2ncc(C#N)c3ncncc23)C1
InChIInChI=1S/C19H24N6O2/c1-12-5-19(10-21-7-12,25-17(26)27-18(2,3)4)16-14-9-22-11-24-15(14)13(6-20)8-23-16/h8-9,11-12,21H,5,7,10H2,1-4H3,(H,25,26)/t12-,19+/m0/s1
InChIKeyLACLVHBWIYKWRY-HXPMCKFVSA-N
MW368.44 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate

tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate (PubChem CID 129251066) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate
PubChem CID129251066
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Nametert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CNC[C@@](NC(=O)OC(C)(C)C)(c2ncc(C#N)c3ncncc23)C1
InChIInChI=1S/C19H24N6O2/c1-12-5-19(10-21-7-12,25-17(26)27-18(2,3)4)16-14-9-22-11-24-15(14)13(6-20)8-23-16/h8-9,11-12,21H,5,7,10H2,1-4H3,(H,25,26)/t12-,19+/m0/s1
InChIKeyLACLVHBWIYKWRY-HXPMCKFVSA-N
XLogP2.25
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate with MolForge

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Related Compounds

N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129251076
tert-butyl N-[(3R,5S)-1-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129240762
(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
CID 129251128
tert-butyl N-[(3aS,6aR)-5-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]carbamate
CID 69173106
tert-butyl N-[1-[2-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]-2-oxoethyl]azetidin-3-yl]carbamate
CID 129251082
tert-butyl N-[3-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]azetidin-3-yl]carbamate
CID 118670163
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate
CID 174727068
N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
CID 129251140
tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
CID 68861367
tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
CID 58229889
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
tert-butyl N-[3-(3-bromo-4-cyanoanilino)propyl]carbamate
CID 107280373

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate (CID 129251066) is tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate is C[C@@H]1CNC[C@@](NC(=O)OC(C)(C)C)(c2ncc(C#N)c3ncncc23)C1.
What is the InChIKey of tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate?
The InChIKey is LACLVHBWIYKWRY-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-5-19(10-21-7-12,25-17(26)27-18(2,3)4)16-14-9-22-11-24-15(14)13(6-20)8-23-16/h8-9,11-12,21H,5,7,10H2,1-4H3,(H,25,26)/t12-,19+/m0/s1.
What are the key properties of tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate?
tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate has a molecular weight of 368.44 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,5S)-3-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 129251066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).