2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile

C15H20N4O — CID 97101958

IUPAC2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H]1CN2CCCC[C@@H]2CO1
InChIInChI=1S/C15H20N4O/c16-8-12-4-3-6-17-15(12)18-9-14-10-19-7-2-1-5-13(19)11-20-14/h3-4,6,13-14H,1-2,5,7,9-11H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyWDURPBQFPQRPBG-ZIAGYGMSSA-N
MW272.35 g/mol
LogP1.62
Rot. Bonds3

About 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile

2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 97101958) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID97101958
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H]1CN2CCCC[C@@H]2CO1
InChIInChI=1S/C15H20N4O/c16-8-12-4-3-6-17-15(12)18-9-14-10-19-7-2-1-5-13(19)11-20-14/h3-4,6,13-14H,1-2,5,7,9-11H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyWDURPBQFPQRPBG-ZIAGYGMSSA-N
XLogP1.62
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)pyridine-2-carbonitrile
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2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
CID 22110783
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-2-chlorobenzonitrile
CID 79071928
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyridine-2-carboxamide
CID 94810936
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2,5-dichloropyrimidin-4-amine
CID 79633146
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-fluoropyridin-4-amine
CID 113367382
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 79916509
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dichloropyridin-2-amine
CID 79072221
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-3-aminobenzonitrile
CID 79082291
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 102625691
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one
CID 79082149
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-bromopyrimidin-2-amine
CID 78953515

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile (CID 97101958) is 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NC[C@@H]1CN2CCCC[C@@H]2CO1.
What is the InChIKey of 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is WDURPBQFPQRPBG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N4O/c16-8-12-4-3-6-17-15(12)18-9-14-10-19-7-2-1-5-13(19)11-20-14/h3-4,6,13-14H,1-2,5,7,9-11H2,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile?
2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 97101958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).