N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide

C16H25N3O2 — CID 127290864

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide
SMILESN#CC1CN(C(=O)NC2CCC3CCCCC3C2)CCO1
InChIInChI=1S/C16H25N3O2/c17-10-15-11-19(7-8-21-15)16(20)18-14-6-5-12-3-1-2-4-13(12)9-14/h12-15H,1-9,11H2,(H,18,20)
InChIKeyDYEMFGSHIAXJIQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.28
Rot. Bonds1

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide (PubChem CID 127290864) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide
PubChem CID127290864
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide
SMILESN#CC1CN(C(=O)NC2CCC3CCCCC3C2)CCO1
InChIInChI=1S/C16H25N3O2/c17-10-15-11-19(7-8-21-15)16(20)18-14-6-5-12-3-1-2-4-13(12)9-14/h12-15H,1-9,11H2,(H,18,20)
InChIKeyDYEMFGSHIAXJIQ-UHFFFAOYSA-N
XLogP2.28
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
CID 97068623
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide
CID 129345423
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile
CID 103761814
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate
CID 98786082
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide (CID 127290864) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide is N#CC1CN(C(=O)NC2CCC3CCCCC3C2)CCO1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide?
The InChIKey is DYEMFGSHIAXJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-10-15-11-19(7-8-21-15)16(20)18-14-6-5-12-3-1-2-4-13(12)9-14/h12-15H,1-9,11H2,(H,18,20).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide is sourced from PubChem (CID 127290864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).