tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate

C19H29N3O4 — CID 77241039

IUPACtert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2ccncc2N)OC(C2CC2)C1(C)O
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(23)22-15-9-14(12-7-8-21-10-13(12)20)25-16(11-5-6-11)19(15,4)24/h7-8,10-11,14-16,24H,5-6,9,20H2,1-4H3,(H,22,23)
InChIKeyQMBWIDQCHZPSPG-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate

tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate (PubChem CID 77241039) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate
PubChem CID77241039
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2ccncc2N)OC(C2CC2)C1(C)O
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(23)22-15-9-14(12-7-8-21-10-13(12)20)25-16(11-5-6-11)19(15,4)24/h7-8,10-11,14-16,24H,5-6,9,20H2,1-4H3,(H,22,23)
InChIKeyQMBWIDQCHZPSPG-UHFFFAOYSA-N
XLogP2.55
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2S,4S,4aS,7aS)-2-(3-amino-4-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]carbamate
CID 86682518
tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
CID 123505509
tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate
CID 77241045
tert-butyl 2-[(2S,3R,4R,6S)-6-(3-amino-4-pyridinyl)-3-hydroxy-2,3-dimethyloxan-4-yl]acetate
CID 157330908
tert-butyl N-[(1R,2R)-5-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamate
CID 59455656
tert-butyl 2-[(2S,4R,4aR,7aS)-2-(3-amino-4-pyridinyl)-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-4-yl]acetate;tert-butyl 2-[(2R,4S,4aS,7aR)-2-(3-amino-4-pyridinyl)-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-4-yl]acetate
CID 162161129
tert-butyl N-[(2R,3S,4R,6R)-6-[3-[[6-(6-amino-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamate
CID 67208140
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
[(2S,3S,4S)-6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxy-3-methyloxan-4-yl] acetate
CID 163914863
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
3,5-difluoro-4-[3-fluoro-6-[[4-[5-hydroxy-5,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]-3-pyridinyl]carbamoyl]-2-pyridinyl]benzoic acid
CID 77158820
tert-butyl N-[6-[3-[[6-(4-acetamido-2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-hydroxy-2,3-dimethyloxan-4-yl]carbamate
CID 77241000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate (CID 77241039) is tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate is CC(C)(C)OC(=O)NC1CC(c2ccncc2N)OC(C2CC2)C1(C)O.
What is the InChIKey of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate?
The InChIKey is QMBWIDQCHZPSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-18(2,3)26-17(23)22-15-9-14(12-7-8-21-10-13(12)20)25-16(11-5-6-11)19(15,4)24/h7-8,10-11,14-16,24H,5-6,9,20H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate?
tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate is sourced from PubChem (CID 77241039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).