(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C14H21N5O — CID 138016510

IUPAC(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1nccnc1CCNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C14H21N5O/c1-10-12(17-7-6-16-10)3-5-18-13(20)19-8-11-2-4-14(11,15)9-19/h6-7,11H,2-5,8-9,15H2,1H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyXDTRPGFGLRLWHI-FZMZJTMJSA-N
MW275.36 g/mol
LogP0.46
Rot. Bonds3

About (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016510) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016510
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1nccnc1CCNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C14H21N5O/c1-10-12(17-7-6-16-10)3-5-18-13(20)19-8-11-2-4-14(11,15)9-19/h6-7,11H,2-5,8-9,15H2,1H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyXDTRPGFGLRLWHI-FZMZJTMJSA-N
XLogP0.46
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016497
(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016526
(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016546
(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016603
1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone
CID 138049910
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
CID 138011926
(3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133127959
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
(3aS,6aR)-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122000016
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
CID 167987190
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
(3aS,6aR)-2-[2-(methylsulfamoyl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122011121

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016510) is (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is Cc1nccnc1CCNC(=O)N1C[C@@H]2CC[C@]2(N)C1.
What is the InChIKey of (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is XDTRPGFGLRLWHI-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-12(17-7-6-16-10)3-5-18-13(20)19-8-11-2-4-14(11,15)9-19/h6-7,11H,2-5,8-9,15H2,1H3,(H,18,20)/t11-,14-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).