6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide

C13H16ClN3O2 — CID 100901224

IUPAC6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCO[C@H]3CCC[C@H]32)c(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c14-9-6-8(12(15)18)7-16-13(9)17-4-5-19-11-3-1-2-10(11)17/h6-7,10-11H,1-5H2,(H2,15,18)/t10-,11+/m1/s1
InChIKeyGVNWMUDGYVDHMR-MNOVXSKESA-N
MW281.74 g/mol
LogP1.59
Rot. Bonds2

About 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide

6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide (PubChem CID 100901224) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide
PubChem CID100901224
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCO[C@H]3CCC[C@H]32)c(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c14-9-6-8(12(15)18)7-16-13(9)17-4-5-19-11-3-1-2-10(11)17/h6-7,10-11H,1-5H2,(H2,15,18)/t10-,11+/m1/s1
InChIKeyGVNWMUDGYVDHMR-MNOVXSKESA-N
XLogP1.59
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133357797
5-chloro-6-(1,2-oxazolidin-2-yl)pyridine-3-carboxamide
CID 86789297
6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide
CID 133480926
4-[5-bromo-3-(chloromethyl)-2-pyridinyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62000950
5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 94124833
5-chloro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56814395
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 81037990
4-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 79072587
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromo-4-methylpyridin-3-amine
CID 104506658
5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
CID 133311263
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromopyrimidin-2-amine
CID 80811772

Frequently Asked Questions

What is the IUPAC name of 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide (CID 100901224) is 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide is NC(=O)c1cnc(N2CCO[C@H]3CCC[C@H]32)c(Cl)c1.
What is the InChIKey of 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide?
The InChIKey is GVNWMUDGYVDHMR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-9-6-8(12(15)18)7-16-13(9)17-4-5-19-11-3-1-2-10(11)17/h6-7,10-11H,1-5H2,(H2,15,18)/t10-,11+/m1/s1.
What are the key properties of 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide?
6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 100901224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).